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113
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H 0.025953 -0.569870 -3.034792
C -1.785638 -1.680898 2.803115
C -3.828091 -3.162675 0.997545
C -0.911479 -4.207137 1.271123
H -1.297944 -4.872879 2.063694
H -0.898592 -4.781987 0.331642
H 0.129586 -3.963750 1.532223
H -4.173766 -3.678937 1.910707
H -4.464957 -2.275448 0.846579
H -3.990656 -3.843692 0.146119
H -1.776713 -2.363350 3.670867
H -0.840963 -1.112446 2.810433
H -2.611280 -0.965908 2.939307
H -0.042034 3.430456 0.150358
Si 1.566946 3.664616 1.920744
Si 1.869702 3.676082 -1.357468
C 1.483319 2.521147 -2.822437
C 1.183910 5.413747 -1.737280
C 3.758737 3.775596 -1.107043
H 4.257479 4.075245 -2.045464
H 4.028684 4.515227 -0.334343
H 4.180577 2.802969 -0.806468
H 1.623056 5.817385 -2.666443
H 0.089640 5.372811 -1.876303
H 1.393997 6.130713 -0.927091
H 2.045774 2.815178 -3.725853
H 1.735866 1.475282 -2.585348
H 0.406963 2.551658 -3.062098
C 1.541479 5.572018 1.867875
C 0.352137 3.043659 3.250895
C 3.316742 3.091499 2.419270
H 3.626467 3.618268 3.339534
H 3.337992 2.010692 2.632855
H 4.069744 3.301458 1.643278
H 1.713619 5.992482 2.874166
H 2.325480 5.970630 1.202210
H 0.572666 5.956193 1.505700
H 0.686553 3.335720 4.261891
H -0.661681 3.450255 3.102346
H 0.274785 1.943919 3.224911
H 4.136998 -0.690195 0.946819
Si 3.372193 -2.917680 1.615901
Si 4.200295 -1.662555 -1.285475
C 4.620616 0.048282 -2.012278
C 5.804865 -2.689183 -1.160723
C 2.964358 -2.545341 -2.428635
H 3.377003 -2.653453 -3.446818
H 2.716196 -3.553507 -2.059151
H 2.023386 -1.977669 -2.503733
H 6.300772 -2.742045 -2.145912
H 6.520628 -2.238820 -0.452330
H 5.612215 -3.723025 -0.829224
H 5.021877 -0.035812 -3.037341
H 3.725815 0.688565 -2.050659
H 5.376984 0.570570 -1.400396
C 2.180710 -2.544284 3.055202
C 2.848866 -4.501604 0.687158
C 5.123174 -3.187862 2.323944
H 2.100556 -3.396061 3.752804
H 2.541314 -1.672474 3.629128
H 1.170314 -2.302282 2.693064
H 5.126264 -4.017999 3.051989
H 5.853748 -3.431068 1.535946
H 5.483451 -2.286264 2.849751
H 2.768582 -5.354275 1.384055
H 1.877115 -4.403193 0.178700
H 3.596631 -4.770524 -0.078199
H -7.523315 -0.182265 2.387311
H -8.019949 -0.619087 0.725382
H -6.989508 -1.719222 1.672036
H -4.000859 1.837386 -2.795024
H -3.790384 0.080141 -2.933895
H -5.421947 0.774476 -3.006752
H -1.746877 1.181982 2.072800
H -2.637949 2.711961 2.135370
H -3.025790 1.420301 3.297181
131
7
Ge -1.283304 1.549978 1.065606
C 0.146421 0.441083 0.161002
C -3.089587 0.983230 0.295981
C 1.440612 1.066486 0.109260
C 2.605369 0.290465 -0.017935
C 2.554639 -1.112383 -0.134917
C 1.285338 -1.711755 -0.179266
C 0.088550 -0.976030 -0.057419
C 1.592838 2.576895 0.135221
H 3.573518 0.791292 -0.043772
C 3.806548 -1.957049 -0.198579
H 1.223646 -2.793212 -0.319743
C -1.212193 -1.741200 -0.172153
C -4.142725 0.623869 1.186439
C -5.398119 0.245758 0.675643
C -5.669621 0.261390 -0.700071
C -4.661111 0.712687 -1.567755
C -3.384578 1.065197 -1.099724
C -3.996203 0.724745 2.710524
H -6.187167 -0.056592 1.367479
C -7.009644 -0.215898 -1.244782
H -4.885500 0.765673 -2.635131
C -2.332519 1.609870 -2.067211
H 0.586448 3.038383 0.227260
Si 2.494468 3.192081 1.721293
Si 2.140342 3.221971 -1.593796
C 1.953417 4.993432 2.038967
C 1.924433 2.103681 3.177058
C 4.398507 3.135905 1.593074
H 4.844432 3.274067 2.593869
H 4.770855 2.176643 1.202278
H 4.786138 3.938169 0.944232
H 2.378210 5.376141 2.983413
H 2.276551 5.670284 1.230103
H 0.854392 5.061533 2.114501
H 2.421645 2.396844 4.118288
H 0.834020 2.198179 3.317035
H 2.139352 1.038219 2.994277
C 1.296596 2.161499 -2.933965
C 1.561660 5.033608 -1.753758
C 4.019788 3.128686 -1.894706
H 4.239071 3.433461 -2.933555
H 4.591388 3.789387 -1.224409
H 4.406429 2.105275 -1.768790
H 1.742996 5.421081 -2.771688
H 0.480214 5.122341 -1.551099
H 2.086259 5.697700 -1.046292
H 1.625867 2.469621 -3.941958
H 1.539969 1.095007 -2.807894
H 0.201555 2.251650 -2.894035
H -2.047769 -1.024195 -0.143438
Si -1.400649 -2.574273 -1.896494
Si -1.529083 -2.821599 1.375494
C -1.149468 -1.744491 2.905109
C -3.354641 -3.375544 1.317828
C -0.402847 -4.352918 1.512394
H -0.587740 -4.864195 2.473992
H -0.573238 -5.081590 0.705518
H 0.660018 -4.063853 1.496282
H -3.689724 -3.806448 2.277166
H -4.019339 -2.530502 1.072508
H -3.497368 -4.146789 0.541124
H -1.430761 -2.248756 3.845862
H -0.069060 -1.525717 2.947643
H -1.678080 -0.778621 2.882591
C -3.255357 -2.592559 -2.335773
C -0.395796 -1.567368 -3.167218
C -0.758549 -4.374026 -1.958742
H -0.757032 -4.736968 -3.002004
H 0.271664 -4.459873 -1.575028
H -1.392104 -5.059540 -1.371191
H -3.425417 -2.993888 -3.350339
H -3.818012 -3.222434 -1.625952
H -3.687843 -1.581145 -2.285645
H -0.650556 -1.851691 -4.203133
H -0.565821 -0.486283 -3.057836
H 0.682993 -1.740682 -3.019285
H 3.506887 -2.986312 -0.483194
Si 5.056795 -1.432275 -1.563343
Si 4.512674 -2.165140 1.581765
C 3.148557 -2.966510 2.643978
C 6.049691 -3.295736 1.539134
C 4.977535 -0.491130 2.354314
H 5.318827 -0.630039 3.395210
H 5.784937 0.012591 1.800554
H 4.111662 0.187636 2.374446
H 6.389283 -3.529297 2.563365
H 5.838245 -4.252277 1.031319
H 6.891794 -2.817870 1.010861
H 3.469862 -3.090080 3.692876
H 2.239861 -2.342099 2.637678
H 2.866859 -3.962340 2.260582
C 4.083569 -0.763966 -3.057620
C 6.292284 -0.109128 -0.956758
C 6.028530 -2.988427 -2.083762
H 4.747804 -0.557624 -3.914962
H 3.322529 -1.492808 -3.386574
H 3.555532 0.167922 -2.804916
H 6.758427 -2.755346 -2.878617
H 6.582191 -3.424527 -1.236526
H 5.349635 -3.766099 -2.475364
H 6.943143 0.220784 -1.785532
H 5.789428 0.786975 -0.558216
H 6.944287 -0.504091 -0.159572
H -7.022676 -0.012224 -2.329775
C -7.155699 -1.743872 -1.045798
C -8.200381 0.533010 -0.604666
H -2.931372 0.877199 2.956905
C -4.748057 1.979866 3.212502
C -4.462644 -0.532985 3.473370
H -1.362762 1.175041 -1.771786
C -2.572348 1.266662 -3.550699
C -2.230319 3.149292 -1.907205
H -4.273454 -0.406858 4.552073
H -5.543867 -0.698921 3.340860
H -3.932223 -1.430084 3.127491
H -4.627638 2.092757 4.303077
H -4.363290 2.886202 2.718662
H -5.824092 1.895677 2.987058
H -1.694183 1.564507 -4.144845
H -2.736990 0.188447 -3.693648
H -3.446787 1.808586 -3.947882
H -1.473884 3.568348 -2.590515
H -3.202775 3.616042 -2.135721
H -1.958113 3.439606 -0.876953
H -8.111247 -2.099794 -1.466613
H -6.329744 -2.283532 -1.535304
H -7.137265 -1.992921 0.028230
H -9.150489 0.189448 -1.046359
H -8.243323 0.342968 0.480283
H -8.112915 1.620428 -0.757990
65
8
C 2.726061 -0.780625 -0.966282
C 1.575048 -0.923625 -0.136341
C 1.646688 -0.437810 1.200917
C 2.771728 0.313859 1.582542
C 3.865196 0.545305 0.734749
C 3.866323 -0.048417 -0.545729
Ge -0.110486 -1.646460 -1.083365
C -1.271438 0.066897 -0.877322
C -0.624055 1.315035 -1.140277
C -1.136793 2.543894 -0.668808
C -2.365563 2.547827 0.030544
C -3.064421 1.343722 0.157110
C -2.577071 0.097678 -0.297357
C 0.627390 1.381046 -2.004533
C -3.589211 -1.079576 -0.152483
C -3.134468 -2.451428 -0.693440
C -2.960067 3.820184 0.606244
C -0.365104 3.829549 -0.914661
C 0.578956 -0.710491 2.288466
C -0.256692 0.570752 2.537937
C 5.021710 1.394985 1.232600
C 5.048666 0.109784 -1.487463
C 2.777489 -1.365452 -2.374213
C -0.357900 -1.874349 1.908058
C 1.257179 -1.136900 3.621953
C -3.999032 -1.278734 1.333042
C -4.861103 -0.705610 -0.974076
H 4.819501 1.770684 2.247542
H 1.931329 -2.037227 -2.593119
H -3.930735 3.616380 1.083998
H 1.534670 1.606781 -1.421792
H 5.965651 0.823736 1.265399
H 5.197734 2.265683 0.577458
H 2.783799 -0.573283 -3.144267
H 3.699549 -1.952916 -2.520061
H -2.295898 4.268001 1.365877
H -3.117966 4.586791 -0.171916
H 0.806611 0.443866 -2.550242
H 0.515012 2.170465 -2.767175
H 2.814062 0.744815 2.584887
H -4.043750 1.385472 0.638152
H -3.988454 -3.148004 -0.645129
H -2.804213 -2.391779 -1.740878
H -2.327954 -2.902525 -0.093741
H -5.608429 -1.512513 -0.887437
H -5.321540 0.227482 -0.618860
H -4.604278 -0.578487 -2.038004
H -4.756234 -2.077976 1.402790
H -3.131956 -1.570120 1.943734
H -4.429739 -0.364047 1.766154
H -1.024511 0.382102 3.308591
H 0.397071 1.383772 2.893353
H -0.755205 0.902273 1.618627
H 0.479504 -1.406184 4.356488
H 1.911540 -2.009863 3.467430
H 1.858108 -0.327715 4.061952
H -1.023966 -2.121432 2.751035
H -1.034833 -1.593250 1.084412
H 0.209523 -2.779212 1.638453
H -0.390457 4.116143 -1.982009
H -0.769391 4.670171 -0.334964
H 0.697737 3.710939 -0.646021
H 4.735429 0.539136 -2.455203
H 5.828288 0.759659 -1.068725
H 5.512857 -0.866113 -1.716201
57
9
Ge -1.438718 -0.060561 0.000000
C 0.223140 -1.292435 0.000000
C -0.677636 1.841475 0.000000
Si 0.243207 -2.282229 1.658548
Si 0.243207 -2.282229 -1.658548
H 1.142831 -0.678168 0.000000
C 0.917694 -4.068775 -1.599128
C -1.518411 -2.436288 -2.393858
C 1.369925 -1.391612 -2.917923
H 1.355132 -1.946112 -3.873101
H 1.071725 -0.355205 -3.125282
H 2.416066 -1.369807 -2.566379
H 1.012791 -4.420283 -2.642447
H 1.912777 -4.139187 -1.132376
H 0.248965 -4.768036 -1.074824
H -1.487617 -3.071365 -3.297164
H -2.214388 -2.907192 -1.678022
H -1.964945 -1.469810 -2.685923
C 1.369925 -1.391612 2.917923
C -1.518411 -2.436288 2.393858
C 0.917694 -4.068775 1.599128
H 1.012791 -4.420283 2.642447
H 0.248965 -4.768036 1.074824
H 1.912777 -4.139187 1.132376
H 1.355132 -1.946112 3.873101
H 2.416066 -1.369807 2.566379
H 1.071725 -0.355205 3.125282
H -1.487617 -3.071365 3.297164
H -1.964945 -1.469810 2.685923
H -2.214388 -2.907192 1.678022
H -1.618422 2.435080 0.000000
Si 0.167336 2.352315 1.628436
Si 0.167336 2.352315 -1.628436
C 0.112348 4.249232 1.849985
C -0.833098 1.599960 3.078168
C 1.991887 1.803378 1.714613
H 2.359001 1.833348 2.755171
H 2.143086 0.780198 1.340745
H 2.628833 2.475798 1.116856
H 0.463595 4.531951 2.858683
H 0.752548 4.766189 1.116223
H -0.912401 4.641926 1.732125
H -0.369827 1.824228 4.055317
H -1.855664 2.016994 3.092495
H -0.928565 0.503195 3.008056
C 0.112348 4.249232 -1.849985
C 1.991887 1.803378 -1.714613
C -0.833098 1.599960 -3.078168
H -0.369827 1.824228 -4.055317
H -0.928565 0.503195 -3.008056
H -1.855664 2.016994 -3.092495
H 0.463595 4.531951 -2.858683
H -0.912401 4.641926 -1.732125
H 0.752548 4.766189 -1.116223
H 2.359001 1.833348 -2.755171
H 2.628833 2.475798 -1.116856
H 2.143086 0.780198 -1.340745
69
10
Ge 1.157317 0.284382 0.000000
C -0.140039 1.852171 0.000000
C -0.006450 -1.474826 0.000000
Si 0.034755 2.875467 1.620761
Si 0.034755 2.875467 -1.620761
H -1.178723 1.481243 0.000000
C -1.600610 3.810233 -1.931010
C 1.492929 4.105850 -1.627422
C 0.363760 1.730831 -3.116096
H 0.445629 2.332172 -4.038937
H 1.321273 1.190889 -2.999930
H -0.422740 0.979783 -3.272776
H -1.568814 4.346110 -2.896278
H -2.457898 3.115943 -1.962423
H -1.803629 4.552155 -1.140691
H 1.707906 4.395098 -2.671254
H 1.285029 5.027579 -1.063731
H 2.410569 3.659069 -1.210810
C 0.363760 1.730831 3.116096
C 1.492929 4.105850 1.627422
C -1.600610 3.810233 1.931010
H -1.568814 4.346110 2.896278
H -1.803629 4.552155 1.140691
H -2.457898 3.115943 1.962423
H 0.445629 2.332172 4.038937
H -0.422740 0.979783 3.272776
H 1.321273 1.190889 2.999930
H 1.707906 4.395098 2.671254
H 2.410569 3.659069 1.210810
H 1.285029 5.027579 1.063731
Si 1.429521 -2.786501 0.000000
Si -1.112319 -1.642810 1.577071
Si -1.112319 -1.642810 -1.577071
C -2.161627 -3.246986 1.628937
C -0.068413 -1.700000 3.183499
C -2.416824 -0.258956 1.800770
H -2.903373 -0.419148 2.780281
H -2.013816 0.761427 1.799168
H -3.208505 -0.309243 1.037482
H -2.419535 -3.452345 2.683668
H -3.105965 -3.134667 1.074679
H -1.646525 -4.132172 1.230296
H -0.697935 -1.385329 4.034323
H 0.266034 -2.730233 3.387759
H 0.821850 -1.056338 3.171944
C -2.161627 -3.246986 -1.628937
C -2.416824 -0.258956 -1.800770
C -0.068413 -1.700000 -3.183499
H -0.697935 -1.385329 -4.034323
H 0.821850 -1.056338 -3.171944
H 0.266034 -2.730233 -3.387759
H -2.419535 -3.452345 -2.683668
H -1.646525 -4.132172 -1.230296
H -3.105965 -3.134667 -1.074679
H -2.903373 -0.419148 -2.780281
H -3.208505 -0.309243 -1.037482
H -2.013816 0.761427 -1.799168
C 2.587728 -2.586696 1.514031
C 0.884265 -4.619485 0.000000
C 2.587728 -2.586696 -1.514031
H 3.532379 -3.114891 -1.293536
H 2.173614 -3.016883 -2.437277
H 2.844016 -1.533185 -1.717157
H 3.532379 -3.114891 1.293536
H 2.844016 -1.533185 1.717157
H 2.173614 -3.016883 2.437277
H 1.795211 -5.245010 0.000000
H 0.299379 -4.894958 0.891871
H 0.299379 -4.894958 -0.891871
94
11
C 0.126033 0.890973 -1.203533
C 1.036733 0.974779 -0.123997
C 0.855520 0.065991 0.945078
C -0.172703 -0.880219 0.936019
C -1.083539 -0.959608 -0.141099
C -0.911142 -0.049713 -1.206998
N 2.078855 1.941971 -0.067171
Ge 3.878373 1.519988 0.446008
N -2.132966 -1.927532 -0.178018
Ge -3.977773 -1.456898 -0.299511
H 1.522938 0.129505 1.803934
H -0.289769 -1.556982 1.781679
H -1.592114 -0.108280 -2.057052
H 0.243195 1.558871 -2.057429
Si -1.639487 -3.632665 -0.437726
C -3.145782 -4.748583 -0.117423
C -1.046176 -3.840243 -2.230981
C -0.242513 -4.123957 0.756696
H -2.851855 -5.807320 -0.231110
H -3.973172 -4.553208 -0.818996
H -3.537441 -4.617631 0.905682
H -1.869540 -3.648746 -2.940710
H -0.673107 -4.863490 -2.413740
H -0.227313 -3.140140 -2.459620
H -0.547716 -4.014246 1.811192
H 0.660495 -3.515837 0.596741
H 0.030195 -5.182085 0.595340
Si 1.713694 3.645706 -0.509793
C -0.031389 4.096164 0.077227
C 2.988277 4.778699 0.333838
C 1.848428 3.915071 -2.393218
H -0.276079 5.133553 -0.210740
H -0.122683 4.012531 1.171767
H -0.789447 3.431322 -0.362808
H 2.995781 4.641999 1.427947
H 2.723558 5.830775 0.125736
H 4.016273 4.616988 -0.028974
H 1.063310 3.386453 -2.959133
H 2.822571 3.566217 -2.774964
H 1.757887 4.990043 -2.631749
N -3.946832 0.363613 0.259547
N 3.947253 -0.354655 0.125293
Si -4.771763 1.518631 -0.799319
Si -3.538904 0.793435 1.932426
C -4.068437 3.270885 -0.552750
C -4.470406 1.006303 -2.615048
C -6.652781 1.542357 -0.493862
H -4.524708 3.968673 -1.277313
H -2.977936 3.283981 -0.709810
H -4.262403 3.667307 0.457276
H -3.397677 1.043535 -2.870096
H -5.004810 1.681775 -3.306399
H -4.827009 -0.019249 -2.823312
H -6.885163 1.821286 0.546864
H -7.091702 0.545577 -0.675440
H -7.164283 2.259773 -1.160343
C -5.029333 1.669116 2.750630
C -3.209767 -0.798204 2.930956
C -2.049709 1.964489 2.061491
H -4.797553 1.914179 3.802795
H -5.926432 1.027095 2.743593
H -5.291824 2.612639 2.243068
H -4.105115 -1.444780 2.964343
H -2.950761 -0.542231 3.973482
H -2.384713 -1.390355 2.509198
H -2.295662 2.964271 1.671112
H -1.183057 1.587465 1.500953
H -1.746638 2.082506 3.117959
Si 4.630893 -1.362127 1.413239
Si 3.686988 -1.011724 -1.503970
C 5.221493 -2.022354 -2.027554
C 2.172609 -2.147803 -1.637187
C 3.485266 0.418691 -2.748230
H 5.094029 -2.400865 -3.057582
H 5.391586 -2.894523 -1.374293
H 6.135677 -1.405750 -2.004242
H 2.267657 -3.037944 -0.996244
H 2.058826 -2.498439 -2.678846
H 1.250942 -1.621184 -1.353784
H 4.334201 1.124678 -2.709345
H 2.564249 0.990423 -2.565184
H 3.439710 0.016278 -3.775675
C 6.527541 -1.497049 1.282860
C 4.214173 -0.575298 3.103430
C 3.860890 -3.103505 1.362569
H 6.945233 -2.105249 2.105138
H 6.992438 -0.497048 1.337909
H 6.839642 -1.955786 0.330623
H 4.614627 0.450311 3.196500
H 4.653587 -1.170548 3.923504
H 3.125360 -0.525877 3.276560
H 4.084840 -3.630173 0.420907
H 2.764219 -3.053487 1.465234
H 4.251666 -3.720657 2.190958
55
12
C 3.128219 1.875466 1.503236
Si 1.580715 1.709459 0.397070
C 0.123789 2.426275 1.384406
N 1.290679 0.033256 -0.102872
Si 2.627051 -1.126282 -0.213917
C 3.250099 -1.601002 1.524179
Ge -0.275885 -0.410694 -1.134603
N -1.792831 -0.110698 0.029680
C -1.971749 -0.793095 1.362747
C -2.954808 -1.992686 1.261012
C -2.995090 0.385279 -0.753557
C -4.146024 0.956495 0.110868
C 2.021733 -2.738492 -1.045075
C 4.077981 -0.459164 -1.259393
C 1.826773 2.778695 -1.165884
C -2.540661 1.584132 -1.641288
C -3.584023 -0.704753 -1.695234
C -0.626773 -1.400550 1.835484
C -2.446298 0.147020 2.513662
H 3.295092 2.945374 1.723036
H 4.048819 1.485960 1.041048
H 2.990295 1.356966 2.466666
H 2.671326 2.407141 -1.771003
H 2.023798 3.837215 -0.919071
H 0.927114 2.746552 -1.806579
H 0.086000 1.994085 2.398207
H -0.836872 2.207659 0.895429
H 0.232083 3.520548 1.488845
H 3.976274 -2.431009 1.457077
H 3.744564 -0.762245 2.038015
H 2.412675 -1.937899 2.158440
H 2.843947 -3.476376 -1.046969
H 1.174385 -3.197940 -0.506536
H 1.709594 -2.586085 -2.091909
H 4.922737 -1.171042 -1.264869
H 3.762965 -0.305682 -2.306189
H 4.458114 0.505123 -0.885275
H -4.898675 1.387015 -0.569564
H -4.653241 0.195384 0.716387
H -3.785222 1.756294 0.773211
H -4.404987 -0.277646 -2.296280
H -2.811168 -1.077838 -2.385447
H -3.980214 -1.557039 -1.128130
H -3.410633 2.007669 -2.169943
H -2.085344 2.369582 -1.018747
H -1.812938 1.280586 -2.413484
H -2.999993 -2.507409 2.235660
H -3.975424 -1.684432 1.002302
H -2.603436 -2.708194 0.501326
H -2.247382 -0.341107 3.482360
H -1.899741 1.097187 2.489418
H -3.521047 0.357684 2.477110
H -0.800345 -1.927348 2.786939
H -0.238321 -2.137997 1.112929
H 0.140846 -0.632647 1.980124
55
13
Ge 0.011675 0.110691 -1.253666
N -1.483903 -0.051020 -0.066340
N 1.523571 0.078400 -0.083674
Si 2.946889 -0.774347 -0.726044
Si 1.675900 1.344216 1.157361
C 3.371771 1.296820 2.030981
C 1.494595 3.042505 0.303539
C 0.352998 1.217529 2.511107
H 3.451798 2.186643 2.680815
H 4.228818 1.314924 1.339421
H 3.474239 0.407070 2.673042
H 2.270965 3.179636 -0.468833
H 1.581897 3.875294 1.023978
H 0.513483 3.138421 -0.194927
H 0.413583 0.257544 3.049118
H -0.655977 1.298374 2.082055
H 0.490170 2.027772 3.249449
C 2.380003 -2.033671 -2.047827
C 4.171149 0.428977 -1.558346
C 3.831476 -1.767460 0.637999
H 4.546602 -2.472859 0.177929
H 4.394926 -1.129596 1.335680
H 3.109597 -2.360039 1.224854
H 3.250135 -2.616917 -2.398556
H 1.645060 -2.751638 -1.643795
H 1.928189 -1.553154 -2.932282
H 5.054601 -0.104097 -1.952857
H 3.685367 0.944550 -2.405167
H 4.532572 1.205477 -0.863796
Si -2.906725 0.836027 -0.678357
Si -1.708295 -1.454529 1.011215
C -0.079823 -2.414072 1.226495
C -2.387814 -1.026565 2.739986
C -2.972947 -2.638032 0.199381
C -2.358662 2.618221 -1.081252
C -3.584186 0.026537 -2.264176
C -4.295655 0.929075 0.620466
H -5.120914 1.547399 0.224408
H -4.713518 -0.058867 0.872798
H -3.945919 1.395624 1.555940
H -4.451658 0.579611 -2.666191
H -2.809626 -0.001573 -3.050042
H -3.900712 -1.012174 -2.074373
H -3.205518 3.224095 -1.449378
H -1.947682 3.118721 -0.187713
H -1.577178 2.638302 -1.862412
H -3.121384 -3.538750 0.821559
H -3.959063 -2.161833 0.066504
H -2.628243 -2.967280 -0.795995
H -2.461520 -1.958778 3.329264
H -1.738886 -0.331919 3.292765
H -3.394992 -0.585455 2.692642
H -0.246389 -3.270065 1.904776
H 0.291773 -2.815401 0.268563
H 0.717937 -1.781140 1.639619
91
14
C -3.654210 -1.422773 1.583383
C -3.954586 -2.731623 2.355936
Si -1.821813 -1.264230 1.039005
C -0.704517 -0.906522 2.548114
C -0.439899 -2.096034 3.500892
N -1.605405 -0.029120 -0.218988
Si -2.910791 0.961331 -0.887440
C -4.124497 1.617384 0.438625
C -3.445610 2.225722 1.686916
Ge -0.134440 -0.417132 -1.410819
N 1.422685 0.047262 -0.414319
Si 1.684956 1.415144 0.706309
C 2.767769 2.715511 -0.210492
C 3.708670 3.526126 0.711581
Si 2.858636 -0.849263 -1.017494
C 4.532489 -0.302816 -0.237458
C 5.143671 -1.228264 0.840323
C -2.257088 2.568697 -1.717568
C -1.010000 2.511182 -2.624973
C -3.888948 -0.028765 -2.200160
C -5.093070 0.727747 -2.809713
C -1.350711 -2.982012 0.321720
C -2.267654 -3.424841 -0.842643
C 2.536358 -2.702909 -0.681210
C 2.227827 -3.047871 0.795968
C 3.046643 -0.586632 -2.903633
C 4.115911 -1.503574 -3.545084
C 0.065999 2.309202 1.156482
C 0.263490 3.748579 1.687935
C 2.571319 0.772732 2.291293
C 2.078671 1.380768 3.625873
H -4.301424 -1.379277 0.690476
H -3.938776 -0.559899 2.207755
H -1.401943 -3.723408 1.139153
H -0.299871 -2.999052 -0.016468
H -1.125877 -0.059097 3.119276
H 0.258482 -0.550898 2.154522
H -4.723062 2.400386 -0.064358
H -4.841932 0.838659 0.742628
H -3.110977 2.944985 -2.311885
H -2.095432 3.325801 -0.929599
H -3.194423 -0.337372 -3.004121
H -4.236476 -0.969188 -1.735016
H 5.236408 -0.244324 -1.088980
H 4.475387 0.721934 0.158129
H 2.075276 -0.747667 -3.403172
H 3.306390 0.474480 -3.079027
H 3.387533 -3.310316 -1.038782
H 1.673742 -2.992470 -1.313187
H 3.360258 2.233239 -1.006154
H 2.077436 3.406253 -0.729931
H 2.438500 -0.322347 2.327209
H 3.658669 0.934068 2.203378
H -0.559232 2.342123 0.255327
H -0.511596 1.718243 1.879668
H -0.710176 4.223328 1.901368
H 0.849652 3.766038 2.620259
H 0.788848 4.380003 0.953322
H 2.575415 0.904472 4.488926
H 2.290416 2.460887 3.677103
H 0.992130 1.246772 3.747015
H 4.254519 4.306560 0.153637
H 3.149531 4.022565 1.520943
H 4.457414 2.869243 1.184389
H 4.242754 -1.290512 -4.620324
H 5.100514 -1.374105 -3.063514
H 3.836694 -2.565544 -3.444740
H 1.837932 -4.074746 0.900564
H 3.130945 -2.965713 1.417949
H 1.474729 -2.361139 1.211601
H 6.154809 -0.889087 1.124762
H 4.527066 -1.240227 1.751346
H 5.227840 -2.265860 0.478727
H 0.262425 -1.812144 4.303731
H -1.366291 -2.450987 3.979630
H 0.000784 -2.946804 2.957524
H -1.990295 -4.422734 -1.223390
H -3.322238 -3.468087 -0.523527
H -2.208655 -2.715310 -1.684601
H -5.022744 -2.796250 2.625608
H -3.707020 -3.619944 1.753591
H -3.373302 -2.791891 3.289446
H -5.627798 0.114105 -3.555256
H -5.818924 1.012643 -2.029574
H -4.769514 1.653863 -3.314194
H -0.842533 3.468483 -3.149194
H -0.095454 2.312383 -2.038223
H -1.095082 1.724630 -3.394368
H -4.186713 2.641356 2.391362
H -2.853285 1.468793 2.224281
H -2.752335 3.035491 1.408362
55
15
Ge 0.047356 -1.358442 0.222359
N 1.504554 -0.166360 0.024084
N -1.482619 -0.244684 0.100817
Ge -3.006297 -1.000527 -0.730578
Ge -1.803462 1.239764 1.229631
C -3.188040 2.424877 0.425779
C -2.459792 0.544202 2.977483
C -0.169288 2.299913 1.590802
H -3.387111 3.270372 1.106110
H -4.135503 1.890360 0.258758
H -2.848672 2.832329 -0.539334
H -3.372437 -0.057988 2.854165
H -2.680605 1.374735 3.670002
H -1.687910 -0.093315 3.440274
H 0.073614 2.965705 0.750560
H 0.689899 1.636451 1.761373
H -0.335636 2.921097 2.487328
C -2.550648 -2.813471 -1.412899
C -4.524110 -1.164754 0.549623
C -3.552741 0.133529 -2.271710
H -4.419958 -0.319727 -2.782201
H -3.831999 1.146359 -1.946371
H -2.731535 0.222192 -3.000441
H -3.425015 -3.232596 -1.939837
H -1.708163 -2.781155 -2.122889
H -2.278436 -3.495869 -0.592590
H -5.395276 -1.618323 0.047003
H -4.240896 -1.808055 1.397996
H -4.830908 -0.185490 0.948517
Ge 3.131863 -0.906869 0.673710
Ge 1.665038 1.234823 -1.239177
C -0.071500 1.703182 -2.072373
C 2.527892 2.861339 -0.465684
C 2.840907 0.540333 -2.695358
C 2.771940 -1.545218 2.521059
C 3.692389 -2.418017 -0.490380
C 4.553288 0.482019 0.723506
H 5.465662 0.049732 1.168132
H 4.804359 0.847722 -0.283701
H 4.244736 1.344031 1.334057
H 4.608610 -2.900792 -0.109974
H 2.891395 -3.173843 -0.532281
H 3.884865 -2.062685 -1.515031
H 3.684546 -1.954505 2.986646
H 2.404619 -0.715169 3.146907
H 2.003250 -2.335535 2.512412
H 2.972963 1.301863 -3.483004
H 3.837568 0.269233 -2.312432
H 2.394822 -0.358198 -3.152132
H 2.059287 3.769629 -0.880926
H 2.420460 2.890717 0.627665
H 3.600556 2.881693 -0.712343
H 0.124815 2.356244 -2.940817
H -0.595190 0.800611 -2.415182
H -0.740007 2.231924 -1.380058
91
16
Ge -0.125901 -0.327994 -1.552480
N 1.368587 0.044202 -0.459399
N -1.565375 -0.075697 -0.322322
Ge -3.064423 0.905827 -0.894835
Ge -1.681999 -1.419310 1.002026
C -3.593233 -1.785241 1.477446
C -1.006566 -3.125232 0.197962
C -0.612831 -0.975171 2.629367
C -3.772474 -3.161191 2.158908
H -4.194270 -1.745558 0.553426
H -3.971904 -0.989110 2.136305
C -1.872463 -3.581723 -0.995355
H -1.000411 -3.900554 0.983415
H 0.040216 -2.999900 -0.121011
H -1.110611 -0.157273 3.177389
H 0.354184 -0.584549 2.284446
C -0.380420 -2.179192 3.567660
C -2.468263 2.705096 -1.562079
C -4.018800 -0.065008 -2.358254
C -4.335672 1.321690 0.588975
H -5.005017 2.107847 0.195077
H -4.970588 0.449405 0.805361
C -3.649713 1.826071 1.875546
H -3.266882 3.061025 -2.237543
H -2.465193 3.394566 -0.700157
C -1.110026 2.777213 -2.284808
C -5.306286 0.659147 -2.808750
H -3.325431 -0.187027 -3.208855
H -4.253839 -1.082455 -1.999734
Ge 2.974294 -0.815139 -1.013282
Ge 1.560718 1.489737 0.757593
C -0.153317 2.307719 1.356490
C 2.621390 0.866307 2.345074
C 2.554931 2.907388 -0.261021
C 2.833431 -2.710113 -0.395255
C 3.114158 -0.796464 -3.005470
C 4.644125 0.041684 -0.294236
H 5.299421 0.196746 -1.170251
H 4.426259 1.042207 0.104735
C 5.389862 -0.796049 0.766587
C 4.310213 -1.644672 -3.492365
H 2.173969 -1.168900 -3.443958
H 3.223253 0.251507 -3.335921
H 3.772091 -3.243937 -0.624779
C 2.486811 -2.853050 1.101993
H 2.047824 -3.183444 -1.011625
C 3.511337 3.746329 0.612714
H 3.107575 2.423887 -1.082965
H 1.803395 3.563373 -0.734151
C 2.096604 1.396752 3.696367
H 2.608321 -0.235563 2.343523
H 3.672828 1.165076 2.209353
C 0.016695 3.787462 1.761437
H -0.880830 2.214079 0.543798
H -0.559395 1.727608 2.196187
H -0.947991 4.219047 2.082199
H 0.726327 3.904491 2.596844
H 0.392058 4.394178 0.921558
H 2.685384 0.994674 4.539447
H 2.151821 2.496545 3.745248
H 1.044869 1.110032 3.853553
H 4.021380 4.527975 0.022845
H 2.968646 4.245066 1.432315
H 4.289878 3.113739 1.071441
H 4.415990 -1.604123 -4.590307
H 5.258853 -1.290597 -3.053174
H 4.188933 -2.702626 -3.205773
H 2.251865 -3.898983 1.365509
H 3.326721 -2.526800 1.734907
H 1.614466 -2.235351 1.361838
H 6.370051 -0.349255 1.008655
H 4.809647 -0.856853 1.699705
H 5.566810 -1.826024 0.416554
H 0.275213 -1.902901 4.411996
H -1.327406 -2.553254 3.988711
H 0.098919 -3.013207 3.031327
H -1.498491 -4.524778 -1.430538
H -2.919784 -3.743440 -0.690042
H -1.876104 -2.820222 -1.793035
H -4.837866 -3.370068 2.358691
H -3.382521 -3.976255 1.528743
H -3.238390 -3.204427 3.121638
H -5.818747 0.114453 -3.620895
H -6.017946 0.761210 -1.972286
H -5.083891 1.674647 -3.178550
H -0.919072 3.786067 -2.692047
H -0.280418 2.545739 -1.596226
H -1.054329 2.065071 -3.126345
H -4.392046 2.117047 2.639344
H -3.001067 1.051163 2.312274
H -3.012188 2.701015 1.671510
139
17
C -3.375403 -0.784202 2.356871
Ge -1.997959 -1.276303 1.030407
C -0.550408 -2.132555 2.073832
N -1.519272 0.184975 -0.076755
Ge -2.929706 1.146560 -0.931273
C -4.258845 1.900218 0.303853
Ge -0.027952 0.108159 -1.304265
N 1.496088 -0.085825 -0.151873
Ge 2.131048 1.316601 0.945440
C 2.341164 2.975213 -0.114517
Ge 2.803246 -1.157230 -1.033679
C 3.959419 -2.129358 0.215964
C -2.033131 2.661398 -1.819993
C -3.874656 0.073044 -2.287809
C -2.816710 -2.668991 -0.106870
C 1.797714 -2.568506 -1.980276
C 3.789942 -0.099907 -2.373649
C 1.093689 1.836618 2.555171
C 3.944690 0.889834 1.601827
C 2.500592 4.200579 0.569778
C 2.833593 5.375224 -0.125195
C 3.016953 5.338595 -1.518957
C 2.842158 4.130967 -2.212420
C 2.502202 2.962341 -1.513003
H 2.372375 4.234634 1.655311
H 2.955564 6.314858 0.419617
H 3.285108 6.249638 -2.059622
H 2.970253 4.090681 -3.295955
H 2.371409 2.033216 -2.064527
C 5.058028 1.607240 1.119093
C 6.352494 1.329979 1.591485
C 6.545546 0.339251 2.566649
C 5.442376 -0.368065 3.072850
C 4.154737 -0.093208 2.592927
H 4.911707 2.381507 0.363390
H 7.206313 1.889766 1.200961
H 7.551275 0.118958 2.932609
H 5.586672 -1.147724 3.822887
H 3.307850 -0.661158 2.980151
C 1.803150 2.050388 3.758677
C 1.149929 2.511767 4.913897
C -0.225263 2.784832 4.880347
C -0.942104 2.590212 3.688701
C -0.290552 2.115190 2.538873
H 2.875301 1.851667 3.799121
H 1.718384 2.660725 5.835324
H -0.737198 3.148525 5.774451
H -2.010577 2.807846 3.662349
H -0.865335 1.911991 1.633651
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119
34
C -2.740861 2.570449 2.038785
C -2.138548 1.134490 2.242678
C -1.017672 1.225434 3.306729
C 0.051862 2.278056 2.992862
C -0.586340 3.678699 2.906606
C -1.733466 3.723177 1.875108
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C -3.932918 -0.447841 1.574066
N -2.795075 -0.406621 0.590895
C -1.730169 0.415367 0.928209
Ge -0.024284 -0.285822 0.168977
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N 2.763765 0.296287 -0.094524
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C 3.185712 2.569909 -0.591237
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C 2.928288 -0.589503 2.758961
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C -0.545342 -3.871203 -0.011458
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H -0.986072 3.944632 3.903094
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H -3.427166 2.580250 1.180764
70
35
Ge 0.000018 0.110732 -1.537156
N 1.228949 -0.263713 -0.133228
N -1.228968 -0.263782 -0.133306
Si -0.000039 -0.558522 1.095222
C -2.620992 -0.015632 -0.024589
C -3.543968 -1.098094 -0.023390
C -4.919337 -0.820708 0.071051
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C -3.078644 -2.546223 -0.149984
H -5.627442 -1.652720 0.066450
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H -4.843141 2.581744 0.235666
C -2.133251 2.515223 0.075180
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C -3.543576 -3.402352 1.049425
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H -1.117784 2.131689 0.242944
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C -2.420069 3.528768 1.204706
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H -1.647855 4.316243 1.205400
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C 2.620982 -0.015598 -0.024574
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C 4.919330 -0.820679 0.071012
C 3.543969 -1.098066 -0.023458
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H 5.627435 -1.652692 0.066388
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C 2.139293 3.215957 -1.303185
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H 1.980701 -2.548942 -0.161334
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88
36
Ge 4.033828 -0.102235 0.159566
N 2.656894 1.175653 0.021505
N 2.561056 -1.263937 0.090166
Si 1.314195 0.006500 0.005355
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N -0.006059 0.059374 1.195249
Si -1.307325 0.026916 0.002628
N -2.630782 -1.169222 -0.070569
N -2.574901 1.274982 -0.034148
Ge -4.025439 0.103287 -0.177362
C 2.986655 2.617218 -0.048726
C 0.022505 0.006482 2.667252
C -2.974159 -2.592497 0.161361
C 2.734967 -2.714528 -0.128170
C -0.012195 -0.059565 -2.660063
C -2.761229 2.739012 0.021862
C 3.951819 2.871467 -1.236500
C 1.730951 3.457685 -0.264372
C 3.672200 3.067806 1.265543
H 1.992588 4.521928 -0.378863
H 1.208369 3.123027 -1.171691
H 1.064205 3.352321 0.596961
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H 4.599795 2.495246 1.434243
H 4.189848 3.945589 -1.312894
H 4.898610 2.321608 -1.103522
H 3.486708 2.541166 -2.178507
C 1.037640 1.042631 3.200209
C -1.376567 0.333757 3.227157
C 0.448765 -1.407519 3.126829
H 0.510548 -1.467383 4.226797
H -0.281158 -2.153231 2.772952
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H -1.690786 1.339506 2.910168
H -2.119391 -0.391359 2.858539
H 1.064703 1.026478 4.302367
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H 0.758286 2.053835 2.863860
C -3.970400 -3.077377 -0.923168
C -1.740195 -3.489423 0.107325
C -3.627686 -2.749012 1.559874
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H -4.917881 -2.515059 -0.882708
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C -3.685539 3.102850 1.211765
C -1.411435 3.421007 0.214099
C -1.027343 0.962799 -3.217698
C 1.386649 0.263831 -3.223909
C -0.435543 -1.483328 -3.092893
C 3.289237 -2.967405 -1.553626
C 3.723824 -3.295224 0.911250
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H 1.026840 -3.330973 1.045392
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H -0.517179 -1.557903 -4.190658
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H -1.410216 -1.728299 -2.643097
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H -3.245517 2.748790 2.156884
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H -0.778515 3.204401 -0.651589
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H -2.764247 2.996368 -2.149571
H -4.392326 2.772622 -1.444594
44
37
C -0.001494 3.358991 1.219685
C 0.000044 2.623200 0.000043
C -0.001606 3.359038 -1.219601
C -0.005035 4.757893 -1.214047
C -0.010125 5.459401 0.000092
C -0.004905 4.757866 1.214188
N -0.000044 1.239800 -0.000030
Ge -1.446368 -0.000072 0.000078
N 0.000044 -1.239800 -0.000030
C -0.000044 -2.623200 0.000043
C 0.001606 -3.359038 -1.219601
C 0.005035 -4.757893 -1.214047
C 0.010125 -5.459401 0.000092
C 0.004905 -4.757866 1.214188
C 0.001494 -3.358991 1.219685
C 0.005334 -2.600858 -2.531918
F 1.105678 -1.794349 -2.653568
C -0.057744 -6.970397 -0.000134
F 0.544403 -7.503732 -1.098332
C 0.004969 -2.600786 2.531997
F 1.105121 -1.794085 2.653759
C -0.005334 2.600858 -2.531918
F -1.105678 1.794349 -2.653568
C 0.057744 6.970397 -0.000134
F -0.544403 7.503732 -1.098332
C -0.004969 2.600786 2.531997
F -1.105121 1.794085 2.653759
Ge 1.446368 0.000072 0.000078
F 0.005491 -3.427271 -3.607742
F -1.091282 -1.790083 -2.657146
F 0.540885 -7.504048 1.099980
F -1.350542 -7.403964 -0.002311
F -1.091800 -1.790248 2.657069
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F -0.005491 3.427271 -3.607742
F 1.091282 1.790083 -2.657146
F -0.540885 7.504048 1.099980
F 1.350542 7.403964 -0.002311
F 1.091800 1.790248 2.657069
F -0.005177 3.427185 3.607811
H 0.011882 -5.306529 -2.154175
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H -0.011622 5.306460 2.154331
98
38
Ge -1.403311 0.164855 0.333672
N 0.140977 1.254239 0.109160
N -0.140977 -1.254239 0.109160
Ge 1.403311 -0.164855 0.333672
C 0.190345 2.677151 0.051875
C 0.266612 3.317835 -1.248447
C 0.152861 4.712115 -1.318800
C -0.032883 5.535034 -0.196550
C -0.052812 4.902070 1.041377
C 0.080138 3.503903 1.219018
C 0.471457 2.551252 -2.589877
H 0.192324 5.203271 -2.286479
C -0.190345 7.055066 -0.378976
H -0.184356 5.516313 1.927960
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C -0.190345 -2.677151 0.051875
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C -0.152861 -4.712115 -1.318800
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C -0.471457 -2.551252 -2.589877
H -0.192324 -5.203271 -2.286479
C 0.190345 -7.055066 -0.378976
H 0.184356 -5.516313 1.927960
C -0.088582 -3.095777 2.729440
C -0.309653 -1.616119 3.086468
C -1.242679 -3.860018 3.450461
C 1.273617 -3.487111 3.372496
C -0.529538 -3.496005 -3.824858
C -1.835914 -1.815484 -2.589203
C 0.703554 -1.583287 -2.882847
C 0.386358 -7.798481 0.960655
C -1.078380 -7.624816 -1.066589
C 1.424159 -7.339121 -1.275554
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C -1.273617 3.487111 3.372496
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C 1.835914 1.815484 -2.589203
C -0.703554 1.583287 -2.882847
C -0.386358 7.798481 0.960655
C 1.078380 7.624816 -1.066589
C -1.424159 7.339121 -1.275554
H -1.261518 3.242561 4.448519
H -1.491302 4.560062 3.269153
H -2.093880 2.924544 2.896999
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H -0.516149 0.980900 2.750411
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H -0.498063 8.877430 0.768822
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H -1.660580 2.128380 -2.842016
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H -1.249474 -7.151044 -2.045697
62
39
C 3.475784 -0.209079 1.453265
C 3.053959 0.027614 0.129956
C 4.014360 0.226619 -0.880505
C 5.382213 0.161783 -0.576173
C 5.799430 -0.097813 0.739904
C 4.844254 -0.280464 1.753711
C 1.594721 0.127210 -0.169989
N 0.840431 1.169093 0.202555
C 1.352053 2.439046 0.716365
Ge -0.659676 0.642068 -1.141621
N -2.045879 -0.015842 0.021605
N 0.842668 -0.751111 -0.843692
C 1.199470 -2.054392 -1.404804
H 3.684569 0.436977 -1.898795
H 6.121124 0.316533 -1.365249
H 6.864405 -0.152405 0.975096
H 5.164317 -0.476278 2.779302
H 2.726155 -0.349146 2.233849
C 0.202088 3.154653 1.445673
H 2.160809 2.224950 1.437400
C 1.926253 3.315585 -0.416979
H 2.286939 4.278804 -0.018652
H 2.766549 2.803581 -0.911028
H 1.144300 3.513686 -1.168037
H 0.545231 4.118178 1.854995
H -0.624410 3.348842 0.741699
H -0.187098 2.533522 2.266630
C 1.879855 -2.982452 -0.377326
H 0.229812 -2.506091 -1.674420
C 2.030636 -1.948205 -2.702789
H 1.994377 -3.989177 -0.811286
H 2.877504 -2.607038 -0.107182
H 1.271112 -3.061686 0.535515
H 2.075808 -2.931022 -3.201073
H 1.573251 -1.222970 -3.393960
H 3.059173 -1.629120 -2.479594
Si -3.703402 0.371636 -0.482621
Si -1.807327 -1.123387 1.385554
C -3.200372 -0.937335 2.685609
C -1.818769 -2.930998 0.771122
C -0.196748 -0.854226 2.370373
H -3.049583 -1.685401 3.484796
H -4.213355 -1.084602 2.280697
H -3.171152 0.060286 3.155619
H -2.790634 -3.193193 0.321155
H -1.626481 -3.639568 1.596954
H -1.043367 -3.090638 0.004658
H -0.011082 0.209140 2.581949
H 0.677027 -1.252791 1.837266
H -0.285078 -1.390712 3.332255
C -4.546095 1.574540 0.736728
C -3.735962 1.226331 -2.189718
C -4.760676 -1.211817 -0.648343
H -5.540889 1.873666 0.359891
H -3.942740 2.492706 0.848349
H -4.682082 1.141575 1.739567
H -3.206068 2.193418 -2.191885
H -4.788233 1.419367 -2.467342
H -3.286173 0.605068 -2.982220
H -4.819551 -1.791484 0.286520
H -4.341135 -1.876325 -1.423452
H -5.792785 -0.956891 -0.948942
76
40
Ge 0.020097 -0.166106 -1.897738
N -1.073596 -0.122931 -0.157205
N 1.103067 -0.140275 -0.158549
C 0.019134 0.029168 0.617778
C -2.453792 0.073553 0.119257
C -3.015764 1.374582 -0.025656
C -4.394716 1.538242 0.192455
C -5.210089 0.448927 0.524898
C -4.652102 -0.831142 0.615055
C -3.278523 -1.048859 0.401397
C -2.170116 2.561066 -0.485309
H -4.835301 2.531615 0.091355
H -6.279120 0.595656 0.694055
H -5.292332 -1.686330 0.839941
C -2.733574 -2.475648 0.401686
H -1.636925 -2.427969 0.359421
C -3.141525 -3.279133 1.657213
C -3.215258 -3.210138 -0.872637
H -2.791652 -4.227143 -0.905341
H -4.315669 -3.287393 -0.876976
H -2.894503 -2.676906 -1.778793
H -2.676988 -4.278154 1.622629
H -2.824613 -2.779642 2.585014
H -4.233725 -3.421391 1.701234
H -1.113639 2.313265 -0.316926
C -2.357895 2.780565 -2.005540
C -2.464518 3.869253 0.280111
H -1.715765 3.606084 -2.356481
H -2.096339 1.873207 -2.572287
H -3.407943 3.034210 -2.226352
H -1.748304 4.647880 -0.029849
H -3.476799 4.243338 0.058053
H -2.379945 3.729021 1.368145
Cl 0.043299 -2.420969 -2.220874
C 2.477783 0.127462 0.074060
C 2.950431 1.466847 0.028709
C 4.329066 1.693845 0.182582
C 5.221270 0.630800 0.375383
C 4.738083 -0.682743 0.405910
C 3.368460 -0.961396 0.249093
C 2.007619 2.645772 -0.205315
H 4.705921 2.718097 0.150724
H 6.289031 0.826603 0.496022
H 5.431483 -1.514343 0.548783
C 2.883233 -2.409004 0.265147
H 1.789198 -2.409777 0.165513
C 3.456154 -3.185684 -0.942318
C 3.248217 -3.122354 1.587734
H 2.867242 -4.156783 1.572730
H 4.341042 -3.164566 1.727352
H 2.814978 -2.606351 2.459824
H 3.079379 -4.221505 -0.937891
H 3.152698 -2.713689 -1.888333
H 4.558004 -3.215805 -0.899766
H 0.974495 2.293249 -0.085989
C 2.214607 3.787246 0.814169
C 2.143957 3.170950 -1.653142
H 1.440244 4.002439 -1.828017
H 3.168288 3.535841 -1.835224
H 1.928153 2.372560 -2.380885
H 1.458028 4.573452 0.655554
H 2.124132 3.419087 1.848365
H 3.208232 4.249466 0.701477
C -0.002469 0.306635 2.134632
C 1.398446 0.317074 2.790526
C -0.676600 1.673169 2.416864
C -0.827727 -0.818675 2.812985
H 1.252192 0.413194 3.878398
H 1.950139 -0.611792 2.596468
H 2.015673 1.157922 2.450934
H -0.622663 1.869454 3.500090
H -0.157127 2.489224 1.893759
H -1.730780 1.672200 2.117781
H -0.796181 -0.666835 3.904043
H -1.874276 -0.799131 2.491120
H -0.404225 -1.809539 2.586722
84
41
C -2.868641 -1.328787 0.681083
C -2.441638 -0.226736 -0.112402
C -3.391343 0.644468 -0.720001
C -4.757345 0.429368 -0.474164
C -5.189299 -0.612441 0.356000
C -4.247287 -1.480496 0.918916
N -1.075058 0.013071 -0.389528
Ge 0.054863 -0.416623 -2.025391
Cl -0.316308 -2.679102 -1.982213
C -2.958351 1.759352 -1.671318
C -3.170790 1.309972 -3.136783
C -1.903057 -2.353670 1.271117
C -1.850887 -2.248640 2.811919
N 1.105958 -0.190127 -0.279716
C -0.007979 0.129682 0.441615
N -0.075049 0.533907 1.752629
C 0.920832 0.132957 2.795530
C 1.973034 1.220960 3.080650
C 2.451863 0.263315 -0.187706
C 3.474565 -0.727662 -0.229758
C 4.817985 -0.315780 -0.189572
C 5.160252 1.040225 -0.144238
C 4.148831 2.007365 -0.182113
C 2.790114 1.645966 -0.222140
C 3.137164 -2.206529 -0.415226
C 3.321630 -2.581008 -1.905313
C 1.731030 2.726992 -0.404147
C 1.968745 3.983984 0.458698
C -1.262823 1.370938 2.174476
C 1.631442 3.112296 -1.900190
C 3.970177 -3.149868 0.479360
C -3.675573 3.100761 -1.405542
C -2.281882 -3.793301 0.852633
C 1.562984 -1.245942 2.568463
H -5.491887 1.090519 -0.937604
H -6.254665 -0.756932 0.548731
H -4.583838 -2.311979 1.541544
H -0.901312 -2.162931 0.866504
H -1.525360 -4.499886 1.232203
H -3.259352 -4.084464 1.271040
H -2.323043 -3.880362 -0.241758
H -1.141219 -2.985198 3.223649
H -1.534406 -1.246546 3.130819
H -2.844439 -2.451927 3.244555
H -1.880363 1.928960 -1.535468
H -2.835500 2.096472 -3.833714
H -2.605046 0.389266 -3.353580
H -4.238085 1.106030 -3.324206
H -3.264391 3.880356 -2.067663
H -4.756222 3.027615 -1.608785
H -3.542792 3.421725 -0.360559
H 4.417752 3.064968 -0.199565
H 6.209031 1.343335 -0.108597
H 5.605142 -1.071500 -0.207430
H 2.076983 -2.350883 -0.168760
H 3.609925 -4.184099 0.357380
H 5.036989 -3.135344 0.201670
H 3.888793 -2.875557 1.543076
H 3.020393 -3.626747 -2.076461
H 2.703742 -1.941107 -2.554256
H 4.377162 -2.458365 -2.202107
H 0.763176 2.314853 -0.110668
H 0.833804 3.859956 -2.051097
H 2.584552 3.542999 -2.249302
H 1.405516 2.230260 -2.520654
H 1.112508 4.670258 0.357736
H 2.086681 3.722270 1.521314
H 2.869757 4.530420 0.136902
H 0.318431 0.018372 3.702543
C -1.412393 1.558445 3.695432
H -2.165305 0.845909 1.843962
H 2.527633 0.954960 3.996039
H 2.687620 1.313012 2.254462
H 1.491924 2.197641 3.240376
H 1.954574 -1.593636 3.537801
H 0.826801 -1.976295 2.209370
H 2.397962 -1.199702 1.867284
C -1.236008 2.746873 1.486672
H -0.348152 3.321516 1.788599
H -1.239462 2.639587 0.394989
H -2.138369 3.311487 1.771093
H -2.294497 2.197651 3.851588
H -1.596355 0.612170 4.224648
H -0.544251 2.061265 4.147077
98
42
C -2.431339 0.197097 2.112317
C -2.362521 -0.444098 0.843877
C -3.543635 -0.737735 0.110461
C -4.784071 -0.352949 0.649241
C -4.865991 0.294818 1.887789
C -3.696509 0.556991 2.611666
N -1.124748 -0.919039 0.323882
C -0.019000 -0.185808 0.006264
N -0.028651 1.128230 -0.399428
C 1.162824 1.981291 -0.111418
C -3.483980 -1.519870 -1.200322
C -4.376592 -0.925446 -2.311406
C -1.188722 0.490605 2.953565
C -1.050446 -0.536434 4.102337
Ge -0.026956 -2.468427 1.072574
Cl -0.229963 -3.911140 -0.692826
N 1.065342 -0.971336 0.204572
C 2.404256 -0.858443 -0.249717
C 2.747524 -1.138344 -1.599721
C 4.101057 -1.042330 -1.975522
C 5.096434 -0.713768 -1.049812
C 4.749109 -0.485058 0.288157
C 3.411008 -0.551121 0.709980
C 1.721859 -1.563472 -2.648647
C 2.047446 -2.983809 -3.168626
C 3.052513 -0.334366 2.179478
C 3.884328 0.773512 2.860790
C 3.190800 -1.661305 2.963399
C 1.663168 -0.580602 -3.840623
C -1.235314 1.643686 -1.116115
C -3.868464 -2.995834 -0.938749
C -1.189432 1.924501 3.533505
H 5.528084 -0.245379 1.013781
H 6.140405 -0.648997 -1.364350
H 4.371899 -1.243849 -3.013879
H 0.730426 -1.602690 -2.178186
H 1.264236 -3.314835 -3.869770
H 3.013499 -2.988204 -3.701105
H 2.096151 -3.703179 -2.340320
H 0.894726 -0.909742 -4.559432
H 1.421988 0.441354 -3.516335
H 2.629991 -0.547819 -4.369971
H 1.993553 -0.036309 2.229837
H 2.894235 -1.519335 4.016479
H 2.555331 -2.448536 2.528509
H 4.236592 -2.010026 2.937329
H 3.475151 0.983029 3.862410
H 4.934826 0.466079 2.989863
H 3.872089 1.704387 2.273157
H -3.763523 1.050644 3.583083
H -5.837901 0.585402 2.292800
H -5.697006 -0.573418 0.093012
H -2.443025 -1.511761 -1.554877
H -4.236820 -1.498865 -3.242192
H -5.445036 -0.979962 -2.045543
H -4.128628 0.128234 -2.512086
H -3.796256 -3.578784 -1.871491
H -3.194156 -3.452056 -0.199774
H -4.903669 -3.058893 -0.562370
H -0.297382 0.399511 2.318095
H -0.135521 -0.335865 4.685720
H -1.917996 -0.466753 4.779440
H -0.997035 -1.565309 3.714941
H -0.201726 2.155363 3.964748
H -1.421455 2.671412 2.759718
H -1.936602 2.027252 4.336978
C 0.801761 3.334775 0.541118
H 1.728339 1.424899 0.645350
C 2.081541 4.009020 1.083117
H 0.348159 3.998076 -0.212774
H 0.072453 3.187742 1.348072
C 3.123513 4.212878 -0.036273
H 1.821742 4.974604 1.547772
H 2.510994 3.373262 1.876875
C 3.421722 2.888466 -0.768840
H 2.724578 4.944019 -0.763193
H 4.050641 4.641421 0.379685
C 2.123678 2.237065 -1.296055
H 4.117276 3.059533 -1.606513
H 3.914123 2.179738 -0.082612
H 1.650716 2.913761 -2.023668
H 2.358451 1.298552 -1.804997
C -0.896954 2.295996 -2.475455
H -1.825547 0.746812 -1.347535
C -2.199103 2.519078 -3.277457
H -0.404646 3.267784 -2.307393
H -0.203534 1.659040 -3.041723
C -3.206390 3.387837 -2.493940
H -1.962505 2.985850 -4.247846
H -2.653572 1.535823 -3.493135
C -3.474256 2.809463 -1.088367
H -2.791026 4.407010 -2.388819
H -4.148772 3.478531 -3.059510
C -2.155161 2.599051 -0.314800
H -4.133823 3.482605 -0.516546
H -3.996739 1.842796 -1.168634
H -1.667277 3.576146 -0.189722
H -2.361110 2.191922 0.679955
81
43
Ge 0.142808 0.115375 -1.661126
N -1.298390 1.132881 -0.545398
N -1.287505 -1.088912 -0.799150
C -1.962477 -0.021467 -0.352832
C -3.326295 -0.108577 0.245983
C -4.386569 -0.665339 -0.497880
C -5.669990 -0.755339 0.058721
C -5.903613 -0.296252 1.366432
C -4.850953 0.262253 2.110146
C -3.568305 0.363141 1.551254
H -4.200859 -1.002851 -1.517319
H -6.488110 -1.177803 -0.528573
H -6.901937 -0.371671 1.802446
H -5.027175 0.617487 3.127675
H -2.745594 0.785205 2.126332
Si -1.593553 -2.834893 -0.689545
C 0.058032 -3.629244 -1.163966
C -2.138010 -3.297038 1.070784
C -2.912999 -3.421294 -1.934856
H -2.803882 -4.506626 -2.109052
H -3.938023 -3.243796 -1.573157
H -2.798881 -2.916735 -2.909489
H 0.028028 -4.726583 -1.051099
H 0.305667 -3.410984 -2.217018
H 0.883549 -3.245854 -0.547852
H -2.283314 -4.388760 1.153379
H -1.390807 -2.998855 1.822545
H -3.092126 -2.810236 1.330760
Si -2.002909 2.771825 -0.648124
C -0.705781 3.865438 -1.491030
C -3.585482 2.723106 -1.703555
C -2.423785 3.484827 1.068049
H -3.989374 3.741020 -1.846533
H -3.380161 2.299950 -2.701864
H -4.370241 2.110764 -1.231401
H -2.584197 4.574810 0.986848
H -3.346008 3.038295 1.471291
H -1.616601 3.324168 1.800987
H -1.132535 4.862505 -1.697713
H 0.188363 4.004680 -0.865687
H -0.381669 3.434553 -2.453049
Si 1.936194 -0.067282 0.072738
Si 3.828242 -1.179813 -0.791675
Si 2.678047 2.156322 0.319871
Si 1.467209 -0.852740 2.236500
C 5.188587 -1.332500 0.554878
C 3.490039 -2.958862 -1.418995
C 4.540812 -0.172092 -2.258598
H 4.423410 -3.396240 -1.817546
H 3.132957 -3.615650 -0.608365
H 2.735694 -2.983596 -2.221810
H 6.096980 -1.798140 0.130818
H 5.472615 -0.351990 0.969422
H 4.852255 -1.965872 1.394063
H 5.369985 -0.717222 -2.744450
H 3.770394 0.026298 -3.023240
H 4.930715 0.802339 -1.920952
C 4.432083 2.315882 1.079452
C 2.749162 3.018432 -1.394101
C 1.471748 3.095300 1.478538
H 2.859177 4.112772 -1.286267
H 3.615254 2.649661 -1.968253
H 1.850623 2.832681 -2.003127
H 4.685544 3.381736 1.226395
H 4.507084 1.813182 2.057450
H 5.198549 1.880355 0.416905
H 1.665102 4.183143 1.476944
H 0.426575 2.932928 1.177853
H 1.576259 2.737276 2.517306
C 2.754173 -0.173797 3.488712
C -0.263265 -0.264369 2.809700
C 1.539797 -2.765771 2.364186
H 2.511931 -0.508434 4.514070
H 3.772591 -0.525150 3.251764
H 2.774029 0.928542 3.490197
H 1.291322 -3.090615 3.390939
H 0.837145 -3.262619 1.677673
H 2.552090 -3.140170 2.133765
H -0.446050 -0.534823 3.865344
H -0.353404 0.830581 2.715053
H -1.058211 -0.719928 2.200613
81
44
Ge -0.007799 0.084915 -1.719651
N -1.440167 1.125858 -0.634058
N -1.436202 -1.099506 -0.825692
C -2.108689 -0.017968 -0.407556
C -3.474702 -0.079574 0.184338
C -4.517588 -0.702797 -0.530912
C -5.808518 -0.764083 0.011362
C -6.066984 -0.210126 1.277235
C -5.030911 0.412139 1.993123
C -3.740675 0.483892 1.447996
H -4.311367 -1.115771 -1.518511
H -6.613251 -1.239037 -0.553861
H -7.071298 -0.262796 1.702697
H -5.225968 0.838209 2.979578
H -2.931171 0.952667 2.005119
Si -1.703300 -2.838954 -0.595694
C 0.009361 -3.609963 -0.830317
C -2.408574 -3.178876 1.136820
C -2.876990 -3.560216 -1.911456
H -2.792032 -4.661529 -1.928242
H -3.932219 -3.312343 -1.713761
H -2.620698 -3.192845 -2.919911
H 0.037895 -4.656137 -0.480416
H 0.302424 -3.605612 -1.893160
H 0.773388 -3.042600 -0.279095
H -2.442348 -4.266558 1.326456
H -1.794034 -2.720344 1.927265
H -3.433152 -2.786669 1.236542
Si -2.063836 2.794465 -0.675689
C -0.791614 3.792224 -1.666065
C -3.751487 2.847014 -1.551831
C -2.240868 3.518314 1.078581
H -4.110334 3.888097 -1.638515
H -3.682040 2.430047 -2.571067
H -4.512674 2.270902 -1.002214
H -2.181086 4.620493 1.046993
H -3.211002 3.246896 1.525101
H -1.445000 3.162750 1.752173
H -1.155385 4.820969 -1.833575
H 0.175754 3.860701 -1.146135
H -0.610403 3.334904 -2.653656
Ge 1.797324 -0.071243 0.061295
Si 3.689632 -1.279645 -0.811784
Si 2.721859 2.139209 0.293850
Si 1.275632 -0.765692 2.295416
C 4.924048 -1.688967 0.598333
C 3.252921 -2.921322 -1.696994
C 4.586548 -0.185564 -2.105006
H 4.163295 -3.346134 -2.158326
H 2.840770 -3.673887 -1.006743
H 2.511138 -2.764786 -2.497941
H 5.823074 -2.192220 0.197569
H 5.253225 -0.777797 1.124506
H 4.471993 -2.362332 1.346863
H 5.404138 -0.748583 -2.590480
H 3.891696 0.149592 -2.893813
H 5.023556 0.714411 -1.643102
C 4.463404 2.102218 1.097005
C 2.897396 2.984853 -1.417950
C 1.614672 3.229157 1.416696
H 3.146697 4.055729 -1.304182
H 3.702786 2.512548 -2.003156
H 1.974580 2.917834 -2.016390
H 4.867595 3.127330 1.188484
H 4.434535 1.661311 2.106894
H 5.176831 1.514581 0.496352
H 2.062621 4.229746 1.557197
H 0.610373 3.368046 0.989425
H 1.491136 2.774168 2.414219
C 2.580312 -0.078878 3.521505
C -0.436019 -0.074112 2.800704
C 1.254934 -2.669451 2.515347
H 2.335155 -0.377250 4.557457
H 3.589344 -0.460111 3.291185
H 2.625206 1.022104 3.489335
H 1.099918 -2.926594 3.579181
H 0.454544 -3.151754 1.934123
H 2.212861 -3.117938 2.200747
H -0.665504 -0.301127 3.857569
H -0.474493 1.019999 2.668909
H -1.231000 -0.512136 2.178802
81
45
C -6.140442 -0.190840 1.479314
C -5.078856 0.495793 2.091710
C -3.827156 0.563871 1.463480
C -3.622838 -0.067045 0.219934
C -4.692446 -0.753164 -0.391879
C -5.945399 -0.811426 0.233023
C -2.298811 -0.014419 -0.455507
N -1.660177 -1.096560 -0.927258
Si -1.855721 -2.839169 -0.657082
C -0.115313 -3.551485 -0.885099
N -1.632041 1.122984 -0.720475
Ge -0.291223 0.084669 -1.903365
Sn 1.676901 -0.053091 -0.020428
Si 3.753521 -1.438966 -0.736653
C 4.851255 -1.789998 0.797929
Si -2.161916 2.820613 -0.716184
C -0.849902 3.719966 -1.748297
C -3.879194 2.974250 -1.516299
C -2.210971 3.547636 1.045070
Si 2.774188 2.278026 0.265840
C 4.464661 2.104077 1.155954
Si 1.107580 -0.754423 2.402179
C 2.431090 -0.036742 3.590260
C 3.096676 3.109952 -1.431587
C 1.675496 3.426515 1.339976
C -2.523418 -3.168560 1.091486
C -3.007920 -3.617262 -1.958066
C -0.601800 -0.066720 2.924185
C 1.105424 -2.658344 2.632122
C 3.324134 -3.113196 -1.561477
C 4.792809 -0.424350 -1.990733
H -4.536032 -1.220066 -1.364634
H -6.770498 -1.336869 -0.252543
H -7.114903 -0.241732 1.969432
H -5.223201 0.973506 3.063117
H -2.996506 1.077755 1.943103
H -2.928231 -4.718519 -1.928034
H -4.066078 -3.358206 -1.790871
H -2.733759 -3.291703 -2.976064
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H -2.502651 -4.250453 1.312890
H -1.913573 -2.659590 1.854638
H -3.562249 -2.819362 1.202687
H -4.201459 4.029831 -1.555292
H -3.870183 2.586025 -2.548987
H -4.637230 2.410014 -0.949420
H -2.100431 4.645745 1.007302
H -3.167046 3.324610 1.545129
H -1.395155 3.155426 1.673681
H -1.074855 4.797037 -1.832878
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H -0.794231 3.304045 -2.768728
H 4.243698 -3.632076 -1.889047
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H 5.766210 -2.339119 0.508206
H 5.161984 -0.853465 1.290388
H 4.319034 -2.400195 1.547675
H 5.690356 -0.986424 -2.308228
H 4.208888 -0.186464 -2.896536
H 5.130377 0.530478 -1.554207
H 3.556025 4.107577 -1.304785
H 3.785581 2.497777 -2.037888
H 2.170424 3.238272 -2.015382
H 4.930658 3.094178 1.314319
H 4.346457 1.621759 2.139839
H 5.167813 1.492081 0.567122
H 2.152396 4.412307 1.490796
H 0.689725 3.596816 0.879914
H 1.503393 2.981471 2.335543
H 2.231658 -0.339111 4.634976
H 3.439841 -0.392672 3.321731
H 2.447704 1.065379 3.555272
H 0.949300 -2.923199 3.694023
H 0.313545 -3.149073 2.044704
H 2.069692 -3.092764 2.317174
H -0.826072 -0.295343 3.982042
H -0.638908 1.028783 2.797686
H -1.405066 -0.498258 2.307635
90
46
C 1.305780 3.165920 -2.476448
C 0.594346 4.364781 -2.133790
C 1.083777 4.844682 -0.878734
C 2.077410 3.920507 -0.430852
C 2.222932 2.884662 -1.418294
Fe 0.216167 2.883099 -0.634964
C 0.091768 2.491064 1.057665
O 0.038787 2.302872 2.216781
Ge 0.057235 0.482682 -1.174913
N 1.014732 -0.713039 0.235959
C 2.346311 -1.198461 0.332383
C 2.888109 -1.994869 -0.719267
C 4.235735 -2.390202 -0.641587
C 5.046009 -2.012707 0.435121
C 4.512493 -1.206175 1.446851
C 3.173808 -0.777443 1.411932
C 2.067958 -2.391325 -1.945832
C 2.459629 -1.506868 -3.152577
C 2.669154 0.201045 2.468618
C 3.060491 -0.178245 3.912597
N -1.152891 -0.474241 0.197079
C -0.151025 -1.249623 0.659166
C -0.275289 -2.561256 1.467177
C 0.339825 -3.730060 0.654288
C -2.556540 -0.710912 0.157773
C -3.401643 -0.127679 1.139929
C -4.791761 -0.292156 1.008692
C -5.345964 -1.011204 -0.056568
C -4.500134 -1.593745 -1.007394
C -3.102889 -1.463143 -0.918427
C -2.854791 0.657225 2.330846
C -3.264098 2.145813 2.247809
C -2.228718 -2.148248 -1.968246
C -2.526463 -3.661566 -2.075474
C 0.502642 -2.402309 2.799063
C -1.726774 -2.961374 1.819799
C -2.381341 -1.466636 -3.346081
C -3.329579 0.082814 3.687781
C -1.506213 2.900165 -0.933880
O -2.651542 2.959231 -1.187460
C 2.208555 -3.884052 -2.320527
C 3.201274 1.610912 2.124984
H 4.653772 -3.002900 -1.442704
H 6.089032 -2.334061 0.478610
H 5.147934 -0.887412 2.275187
H 1.574888 0.240116 2.411101
H 2.801661 2.357805 2.829449
H 4.303083 1.628281 2.172181
H 2.890258 1.886595 1.108863
H 2.598649 0.533653 4.615800
H 2.723204 -1.193042 4.172535
H 4.151953 -0.130820 4.059905
H 1.007187 -2.203812 -1.728491
H 1.847120 -1.764371 -4.033056
H 2.301395 -0.440764 -2.924826
H 3.522399 -1.655686 -3.406942
H 1.513173 -4.125840 -3.141170
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H -6.429298 -1.120969 -0.142856
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H -4.360295 2.245205 2.319967
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H -1.732148 -1.958200 -4.090546
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H -2.097451 -0.404253 -3.285079
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H -1.674828 -3.867072 2.445600
H -2.243421 -2.179873 2.386250
H -2.327655 -3.191166 0.931664
H 0.167876 -4.668638 1.206473
H -0.138068 -3.818463 -0.332554
H 1.419181 -3.605562 0.515593
H 0.352179 -3.310321 3.405659
H 1.576552 -2.280794 2.622546
H 0.134641 -1.536686 3.371447
H 1.144320 2.558007 -3.362695
H 2.909713 2.043207 -1.366892
H 2.616694 3.978833 0.509941
H 0.733713 5.721943 -0.342742
H -0.200361 4.817411 -2.721679
150
47
C 1.986487 3.364663 -1.358866
C 2.645468 2.466076 -0.482328
C 3.595166 2.941643 0.465295
C 3.826248 4.324937 0.548235
C 3.160225 5.225838 -0.292640
C 2.258487 4.739801 -1.245547
N 2.265571 1.098750 -0.469329
C 2.929640 0.012517 -0.908257
C 4.130451 -0.018271 -1.879570
C 3.730307 -0.880921 -3.103763
C 4.377439 1.995831 1.372467
C 3.888023 2.055423 2.836488
C 0.979020 2.885656 -2.398734
C 1.359946 3.324500 -3.831463
Ge 1.047921 0.023691 0.826195
Ge -1.047694 0.023617 -0.826103
N 2.325999 -1.075727 -0.385544
C 2.725530 -2.439109 -0.375891
C 3.599406 -2.902547 0.653142
C 3.853176 -4.280995 0.752276
C 3.270313 -5.195614 -0.133502
C 2.416858 -4.730137 -1.138163
C 2.122935 -3.360949 -1.274719
C 4.250247 -1.949762 1.655396
C 5.755649 -2.234448 1.862827
C 1.106026 -2.927622 -2.327631
C -0.305263 -3.386431 -1.905183
C 3.524292 -1.964492 3.019991
C 1.422555 -3.479790 -3.737241
C 5.900501 2.249524 1.298182
C -0.430226 3.403167 -2.048007
C 4.548172 1.373716 -2.406538
C 5.369991 -0.659901 -1.207479
H 4.515741 -4.641667 1.541441
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H 6.199954 -1.431866 2.474526
H 5.912349 -3.184709 2.398688
H 6.296704 -2.286050 0.906582
H 4.542965 4.698583 1.282666
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H 3.943755 3.085683 3.225991
H 2.848637 1.702653 2.906125
H 6.435742 1.474658 1.871964
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H 2.815690 -0.494815 -3.580147
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N -2.265587 1.098670 0.469252
C -2.929596 0.012400 0.908181
C -4.130343 -0.018331 1.879583
C -4.548106 1.373702 2.406471
C -5.369994 -0.660102 1.207822
C -3.730013 -0.880794 3.103874
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H -3.711441 1.898044 2.883622
H -4.949852 2.019238 1.615628
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H -2.815478 -0.494439 3.580224
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C -3.595353 2.941332 -0.465381
C -3.826616 4.324591 -0.548428
C -3.160647 5.225631 0.292338
C -2.258835 4.739775 1.245272
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C -4.377608 1.995279 -1.372312
H -4.543459 4.698100 -1.282801
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H -1.746175 5.435569 1.912916
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C -4.249979 -1.949620 -1.655405
H -0.953227 1.785619 2.375706
C 0.429923 3.403034 2.047997
C -1.360406 3.325166 3.831362
H -0.622548 2.930621 4.549355
H -1.362498 4.424163 3.917875
H -2.357995 2.960611 4.122763
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C -1.422392 -3.480327 3.737226
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166
48
C -2.286761 -3.526222 -0.611264
C -2.810269 -2.454004 0.167359
C -3.838623 -2.703554 1.129260
C -4.324972 -4.015555 1.268075
C -3.829101 -5.069707 0.490331
C -2.816327 -4.818495 -0.436883
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C -1.166871 -3.338498 -1.634653
C -1.647221 -3.607872 -3.081270
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C -2.621927 2.415238 -0.136878
C -3.267191 3.055102 0.961171
C -3.552281 4.426682 0.871205
C -3.208957 5.164408 -0.269480
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C -2.244918 3.157115 -1.286618
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C -5.122476 2.502707 2.631489
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C 5.458102 -1.870648 2.032261
H 4.836212 -1.512595 0.024520
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H 3.585775 1.888928 1.983242
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C 2.621928 -2.415186 0.136818
C 3.267226 -3.055406 -0.961034
C 3.552063 -4.427010 -0.870803
C 3.208411 -5.164480 0.269952
C 2.556744 -4.529183 1.332108
C 2.244506 -3.156828 1.286576
C 3.650632 -2.276695 -2.219972
H 4.047082 -4.923403 -1.708181
H 3.437277 -6.231159 0.324594
H 2.264164 -5.106892 2.211123
C 1.425475 -2.540656 2.415320
C 2.810154 2.454187 -0.167430
C 2.286480 3.526691 0.610719
C 2.815504 4.819051 0.435406
C 3.827873 5.070098 -0.492302
C 4.323925 4.015657 -1.269515
C 3.838196 2.703523 -1.129694
C 1.167059 3.339199 1.634625
H 2.419519 5.636398 1.041290
H 4.227436 6.079285 -0.616376
H 5.104739 4.220787 -2.002832
C 4.376906 1.603351 -2.046556
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C -0.024271 -3.072786 2.352318
C 2.015704 -2.808330 3.816762
H 1.399297 -2.305590 4.579742
H 2.019640 -3.886836 4.044632
H 3.045554 -2.434155 3.905030
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H -0.485365 -2.871907 1.375235
H -0.041127 -4.164720 2.506457
H 3.525302 -1.207082 -2.008493
C 5.122858 -2.503508 -2.631215
C 2.701028 -2.608462 -3.393119
H 5.374704 -1.854162 -3.485908
H 5.812640 -2.270618 -1.804610
H 5.299367 -3.547380 -2.938325
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H 2.719578 -3.687983 -3.619232
H 1.668741 -2.315138 -3.147511
H 0.822442 2.295389 1.581538
C 1.648080 3.609548 3.080857
C -0.024718 4.271342 1.324085
H 0.811283 3.462651 3.783811
H 2.467775 2.942049 3.381345
H 1.999146 4.650285 3.180017
H -0.844175 4.090730 2.031908
H 0.275609 5.327987 1.417362
H -0.411219 4.115859 0.310281
H 4.369278 0.659593 -1.486889
C 3.471429 1.425437 -3.288635
C 5.828375 1.843495 -2.521953
H 6.222614 0.921262 -2.977529
H 5.867627 2.635403 -3.287859
H 6.492103 2.140836 -1.695123
H 3.865334 0.619745 -3.932022
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H -6.165834 2.653750 -1.713972
H -4.525362 2.355421 -2.341084
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H -7.169445 -0.090342 -1.158124
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H -5.468549 -2.408684 -3.328252
H -6.033422 -2.072917 -1.667746
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H -4.163339 0.445297 -3.889145
H -2.555133 -0.040477 -3.283619
H 5.469365 2.408059 3.328867
H 6.284107 0.867901 2.973948
H 6.035179 2.071844 1.668824
H 3.494380 1.151911 4.314309
H 2.554590 0.041731 3.282886
H 4.162260 -0.444873 3.889195
H 7.136901 -1.146490 -0.116161
H 6.387695 0.446390 -0.405005
H 7.169159 0.090112 1.158349
H 6.165147 -2.654278 1.715482
H 5.899679 -1.343565 2.891290
H 4.524609 -2.355569 2.342156
82
49
C -3.853169 -1.791091 -0.923795
C -3.826619 -0.859238 0.132452
C -4.954399 -0.733514 0.968950
C -6.087203 -1.532578 0.757583
C -6.107085 -2.459971 -0.297731
C -4.989349 -2.585331 -1.139072
C -2.623648 -0.012894 0.381062
N -2.513347 1.294568 0.098474
C -3.235360 2.094200 -0.909273
C -2.623866 3.510046 -0.853543
Ge -0.738649 1.485658 1.080478
N -1.485330 -0.419176 0.980318
C -1.289153 -1.547397 1.914071
C -2.149430 -1.353117 3.184400
Ge 0.738037 1.484727 -1.080332
N 1.485191 -0.419908 -0.979730
C 1.289253 -1.548295 -1.913374
C -0.207688 -1.508697 -2.291233
N 2.513161 1.294450 -0.098962
C 3.235213 2.094446 0.908480
C 2.623800 3.510312 0.852178
C 2.623720 -0.013053 -0.381216
C 3.826922 -0.859020 -0.132605
C 3.853546 -1.790894 0.923636
C 4.989897 -2.584842 1.139063
C 6.107719 -2.459184 0.297869
C 6.087741 -1.531798 -0.757446
C 4.954773 -0.733006 -0.968953
C 3.010244 1.492053 2.314933
C 4.749252 2.192432 0.606180
C 2.149717 -1.354172 -3.183614
C 1.606636 -2.916869 -1.266413
C -1.606531 -2.916163 1.267462
C 0.207854 -1.507568 2.291689
C -3.010367 1.491323 -2.315533
C -4.749368 2.192301 -0.606933
H -2.978946 -1.892567 -1.567371
H -5.001214 -3.302742 -1.962519
H -6.989952 -3.080989 -0.463878
H -4.935289 -0.001782 1.778091
H 4.935573 -0.001280 -1.778097
H 6.954534 -1.429540 -1.414005
H 6.990723 -3.079976 0.464131
H 5.001834 -3.302268 1.962495
H 2.979230 -1.892572 1.567065
H 5.209156 2.925160 1.289682
H 5.254224 1.227525 0.744806
H 4.908792 2.531095 -0.429840
H 3.488937 2.124280 3.081025
H 1.931192 1.433499 2.528406
H 3.442991 0.482002 2.373736
H 3.127203 4.166297 1.579220
H 2.743036 3.938855 -0.155887
H 1.550772 3.475195 1.099841
H 1.268397 -3.720526 -1.941045
H 2.683149 -3.044630 -1.094134
H 1.079911 -3.021668 -0.306542
H 1.916325 -2.134670 -3.927279
H 1.942209 -0.366711 -3.625690
H 3.220466 -1.417616 -2.936923
H -0.460822 -2.361874 -2.940528
H -0.818075 -1.540943 -1.377564
H -0.441917 -0.576927 -2.831734
H 0.461065 -2.360367 2.941455
H 0.818121 -1.540280 1.377966
H 0.442136 -0.575496 2.831655
H -1.915931 -2.133510 3.928146
H -1.941900 -0.365597 3.626334
H -3.220216 -1.416630 2.937893
H -1.267714 -3.719610 1.942052
H -2.683103 -3.044245 1.095790
H -1.080312 -3.020997 0.307324
H -3.488780 2.123437 -3.081889
H -1.931294 1.432469 -2.528801
H -3.443374 0.481375 -2.374099
H -3.127362 4.165812 -1.580716
H -2.742944 3.938946 0.154396
H -1.550873 3.474797 -1.101370
H -5.209407 2.924555 -1.290851
H -5.254242 1.227251 -0.744912
H -4.908837 2.531594 0.428894
H -6.953933 -1.430537 1.414258
101
50
C -0.804211 -1.813448 1.953062
C -1.485460 -0.780255 1.202066
C -2.027415 0.132289 2.181600
C -1.695924 -0.331409 3.500237
C -0.939654 -1.545012 3.359335
Ge -1.688733 -0.698286 -0.804762
N -3.672670 -1.282482 -0.681709
C -4.340935 -2.501300 -0.188608
C -5.607259 -2.847206 -1.006245
Fe -0.000091 -0.000128 2.407691
C 2.027313 -0.132416 2.182035
C 1.485531 0.780221 1.202492
C 0.804027 1.813274 1.953456
C 0.939169 1.544668 3.359729
C 1.695481 0.331095 3.500653
Ge 1.688749 0.698153 -0.804336
N 3.672646 1.282510 -0.681577
C 4.340860 2.501381 -0.188533
C 3.311053 3.640535 -0.349986
C -4.112264 -0.022571 -0.709003
N -3.070429 0.827960 -0.720269
C -3.023566 2.220271 -1.212394
C -1.608449 2.735110 -0.878685
C -5.550594 0.382906 -0.729543
C -6.182397 0.805790 0.455065
C -7.532057 1.186218 0.436931
C -8.256000 1.156016 -0.766775
C -7.628334 0.735984 -1.951411
C -6.281349 0.344700 -1.931799
C -3.238717 2.249185 -2.743598
C -4.055768 3.139037 -0.515617
C -4.696391 -2.345766 1.309965
C -3.311326 -3.640591 -0.350360
N 3.070579 -0.827986 -0.719931
C 4.112343 0.022634 -0.708908
C 5.550696 -0.382738 -0.729740
C 6.182808 -0.805484 0.454753
C 7.532499 -1.185794 0.436337
C 8.256160 -1.155623 -0.767539
C 7.628179 -0.735755 -1.952066
C 6.281165 -0.344583 -1.932173
C 3.023760 -2.220276 -1.212121
C 3.238519 -2.249076 -2.743385
C 1.608802 -2.735309 -0.878057
C 4.056251 -3.138946 -0.515652
C 4.696629 2.345752 1.309957
C 5.606970 2.847547 -1.006386
H -5.607520 0.840307 1.381769
H -8.017146 1.510824 1.359981
H -9.305584 1.457238 -0.781225
H -8.188250 0.708556 -2.888638
H -5.790329 0.000405 -2.843456
H -1.498298 3.780843 -1.207201
H -1.436538 2.677794 0.206561
H -0.840168 2.127218 -1.382713
H -3.832712 4.185819 -0.778998
H -5.084466 2.918673 -0.827966
H -3.988002 3.033206 0.578706
H -3.118495 3.275887 -3.127784
H -2.501991 1.597539 -3.239261
H -4.252064 1.899460 -2.994572
H -3.747115 -4.592284 -0.008298
H -3.014910 -3.743933 -1.406386
H -2.413833 -3.431379 0.252637
H -5.981837 -3.835847 -0.693352
H -6.404872 -2.109812 -0.846481
H -5.369432 -2.885974 -2.081249
H -5.097808 -3.295578 1.701251
H -3.800776 -2.067416 1.883769
H -5.462265 -1.567266 1.442929
H 5.789901 -0.000425 -2.843751
H 8.187871 -0.708368 -2.889427
H 9.305767 -1.456753 -0.782210
H 8.017833 -1.510274 1.359301
H 5.608157 -0.839959 1.381599
H 5.981405 3.836261 -0.693551
H 6.404761 2.110316 -0.846767
H 5.368951 2.886279 -2.081349
H 5.098026 3.295564 1.701262
H 3.801152 2.067254 1.883907
H 5.462606 1.567312 1.442687
H 3.746765 4.592263 -0.007921
H 3.014427 3.743928 -1.405949
H 2.413704 3.431133 0.253157
H 3.833253 -4.185745 -0.779018
H 5.084844 -2.918445 -0.828249
H 3.988750 -3.033165 0.578692
H 1.498652 -3.781001 -1.206707
H 1.437250 -2.678183 0.207252
H 0.840301 -2.127412 -1.381747
H 3.118310 -3.275765 -3.127607
H 2.501595 -1.597480 -3.238820
H 4.251762 -1.899225 -2.994606
H 2.573176 -1.040934 1.939561
H 1.919897 -0.175164 4.438398
H 0.497038 2.121316 4.170569
H 0.259852 2.651465 1.522687
H -0.260035 -2.651639 1.522314
H -0.497785 -2.121822 4.170203
H -1.920505 0.174762 4.437991
H -2.573174 1.040867 1.939122
67
51
N -0.419804 2.028191 -0.433306
C -0.332579 3.371668 -0.566410
C -1.362646 4.212546 -0.152266
C -2.527971 3.632911 0.392484
C -2.620573 2.244508 0.508668
C -1.534071 1.436673 0.101868
H 0.585842 3.755894 -1.010362
H -1.259944 5.293065 -0.255337
H -3.354720 4.267381 0.718867
H -3.508380 1.766583 0.919205
C -1.404653 -0.040363 0.084052
Ge 0.237952 0.212081 -1.334019
Si -1.138829 -0.656899 1.880359
Si -2.866258 -0.883414 -0.826435
C -3.350680 0.196434 -2.322830
C -2.317456 -2.601153 -1.443888
C -4.432625 -1.094923 0.254507
H -3.131110 -3.080002 -2.016709
H -1.442543 -2.519048 -2.109943
H -2.049061 -3.274183 -0.614202
H -5.228422 -1.587993 -0.332333
H -4.252839 -1.707587 1.152337
H -4.832661 -0.123585 0.592664
H -4.131892 -0.296161 -2.927975
H -3.743477 1.176548 -2.003253
H -2.479446 0.379921 -2.973842
C 0.538174 -0.145223 2.618432
C -2.464216 0.136250 3.018791
C -1.396905 -2.541423 2.019012
H -1.191443 -2.860224 3.056202
H -2.438368 -2.818485 1.788924
H -0.742607 -3.122558 1.357304
H -2.376764 -0.291866 4.033568
H -2.322943 1.226282 3.109335
H -3.494082 -0.043836 2.670465
H 0.479970 -0.191129 3.720929
H 1.370689 -0.780747 2.285558
H 0.790809 0.889872 2.338330
C 1.951868 -0.314156 -0.310627
C 2.194110 -1.698873 -0.055058
C 3.352357 -2.093545 0.638929
C 4.285975 -1.145252 1.080514
C 4.091601 0.202500 0.770111
C 2.953558 0.623393 0.051433
C 1.225049 -2.762543 -0.583688
H 3.529323 -3.149739 0.847400
H 5.168830 -1.462250 1.640995
H 4.833987 0.941914 1.080851
C 2.861352 2.104027 -0.325397
H 0.199723 -2.378993 -0.448788
C 1.449314 -2.992570 -2.099964
C 1.297092 -4.121275 0.144120
H 0.710613 -3.711938 -2.492262
H 1.359230 -2.056061 -2.672241
H 2.459479 -3.400983 -2.269499
H 0.452341 -4.755796 -0.168584
H 2.227375 -4.655700 -0.110024
H 1.261294 -4.001172 1.237767
H 2.027751 2.220377 -1.032851
C 2.587182 2.988927 0.909454
C 4.125903 2.591473 -1.071518
H 3.994564 3.637345 -1.397406
H 5.014147 2.550755 -0.421230
H 4.322144 1.968156 -1.957983
H 2.508591 4.052057 0.622430
H 1.653419 2.692888 1.409070
H 3.411016 2.891380 1.635077
55
52
C -1.605046 -0.650840 -0.017150
Ge 0.016603 -0.065170 1.109178
C 1.578110 0.659743 -0.015806
C 1.182016 1.939483 -0.411597
N -0.188188 2.260477 -0.015696
C -1.054149 2.422411 -1.200309
C -1.208528 -1.931926 -0.404416
N 0.184671 -2.198908 -0.034291
C 0.335234 -3.384024 0.833690
C -0.258225 3.439521 0.864313
C 1.025776 -2.318858 -1.247284
H 1.387511 -3.452916 1.147115
H -0.303213 -3.257967 1.719341
H 0.052984 -4.316787 0.308300
H 2.070352 -2.445347 -0.940322
H 0.693442 -3.173984 -1.866738
H 0.936554 -1.388987 -1.823869
H -0.707327 3.259560 -1.839298
H -1.033113 1.487461 -1.776344
H -2.084431 2.602590 -0.870309
H 0.051292 4.370058 0.346643
H -1.296183 3.556866 1.211122
H 0.397604 3.276402 1.731708
C -2.969095 -0.286822 -0.234056
C -2.021142 -2.858043 -1.074509
C -3.335747 -2.459902 -1.345117
C -3.806386 -1.206535 -0.920915
N -3.479145 0.960805 0.202576
C -4.846615 1.305925 -0.170928
C -3.165909 1.363279 1.575843
H -3.457127 2.417710 1.711404
H -3.707790 0.749283 2.325570
H -2.090451 1.279447 1.772115
H -5.031548 2.353755 0.111880
H -4.971993 1.210039 -1.260101
H -5.611414 0.670787 0.327357
H -4.853189 -0.967150 -1.105249
H -4.019886 -3.136469 -1.862977
H -1.648812 -3.841322 -1.368972
C 2.936098 0.285511 -0.243833
C 3.771882 1.171351 -0.968689
C 3.303602 2.417929 -1.416749
C 2.000146 2.833425 -1.122043
H 1.633102 3.814277 -1.431323
H 3.979915 3.075553 -1.968361
H 4.811513 0.909818 -1.166167
N 3.435325 -0.961195 0.233492
C 4.738717 -1.392767 -0.261648
C 3.316304 -1.190589 1.677501
H 3.514397 -2.254822 1.888572
H 4.042923 -0.578453 2.254135
H 2.305780 -0.949554 2.032844
H 4.899693 -2.438498 0.045557
H 4.754696 -1.339279 -1.360665
H 5.582522 -0.784498 0.132987
75
53
N -1.071165 -2.029462 -0.552809
C -2.201014 -1.327109 -0.230391
C -3.433766 -2.008964 -0.114249
C -3.479038 -3.392744 -0.314346
C -2.301484 -4.088655 -0.652032
C -1.115714 -3.361243 -0.764576
C -1.905417 0.123215 -0.039940
Si -3.022602 1.306722 -1.063334
C -4.880437 0.843647 -1.000524
Ge -0.020489 -0.141225 -1.135132
C 1.875729 -0.151390 -0.004307
Si 2.247657 -1.185115 1.555892
C 1.746261 -0.263822 3.154571
C 1.926271 1.326863 0.168961
N 0.935452 1.983027 -0.501524
C 0.898672 3.325364 -0.521613
C 1.820966 4.117083 0.171842
C 2.828962 3.463892 0.903621
C 2.894317 2.066998 0.891756
Si 3.104623 -0.551170 -1.447952
C 2.937768 -2.399141 -1.895011
C 2.739155 0.518536 -2.989491
C 4.924561 -0.131729 -1.029087
Si -1.998249 0.504503 1.827998
C -3.799731 0.872995 2.383825
C -1.543662 -1.057354 2.826903
C -0.955574 2.017666 2.335543
C -2.871375 3.101924 -0.425247
C -2.541887 1.305047 -2.911274
C 1.466028 -2.922362 1.457082
C 4.112312 -1.554501 1.838739
H -4.328648 -1.451958 0.155607
H -4.423269 -3.930792 -0.204301
H -2.303521 -5.167291 -0.813904
H -0.164798 -3.837406 -1.012187
H 1.788302 -0.963815 4.007880
H 2.462094 0.549942 3.360902
H 0.743479 0.176309 3.131948
H 4.224717 -2.038379 2.826054
H 4.527083 -2.244221 1.085536
H 4.738507 -0.647206 1.840584
H 1.755459 -3.507134 2.348202
H 0.371635 -2.919763 1.388632
H 1.849414 -3.457841 0.572661
H -1.479005 -0.824242 3.903947
H -2.329944 -1.820143 2.695188
H -0.590360 -1.506700 2.526807
H -3.821207 1.037250 3.476518
H -4.235207 1.763554 1.904807
H -4.465725 0.019313 2.169916
H -0.965270 2.125512 3.434926
H 0.091950 1.950314 2.011740
H -1.377742 2.940008 1.906764
H -3.314659 3.793607 -1.163262
H -3.399674 3.253582 0.529683
H -1.823701 3.398190 -0.270497
H -5.465240 1.634281 -1.504167
H -5.084439 -0.101402 -1.530522
H -5.261916 0.751109 0.028766
H -3.273556 1.897240 -3.491036
H -1.540253 1.733456 -3.079594
H -2.527628 0.282666 -3.325686
H 3.679637 1.535843 1.429798
H 3.563080 4.042499 1.469366
H 1.747216 5.204947 0.145315
H 0.092200 3.775944 -1.105128
H 5.504950 -0.113016 -1.968855
H 5.407557 -0.845525 -0.348036
H 5.005502 0.873445 -0.580639
H 3.310428 -3.055203 -1.090811
H 3.507230 -2.634376 -2.810861
H 1.880548 -2.656320 -2.081777
H 2.699459 1.589192 -2.727124
H 1.786031 0.260869 -3.475601
H 3.553493 0.383440 -3.724006
66
54
C -2.800349 0.047241 0.067792
C -3.833988 0.899972 0.575424
C -5.186493 0.507077 0.502176
C -5.557245 -0.710407 -0.073158
C -4.564067 -1.547376 -0.589854
C -3.202904 -1.188199 -0.529094
C -3.567571 2.268648 1.223483
H -5.956992 1.170336 0.901965
H -6.609239 -1.002680 -0.123470
H -4.846365 -2.497243 -1.051504
C -2.222546 -2.186222 -1.147985
Ge -0.856643 0.739524 0.336520
N 0.099004 -1.055389 0.816630
N -0.048003 0.269919 -1.529280
Ge 1.340948 -1.221193 -0.902633
H 0.642709 -0.927868 1.673049
H -0.506055 -1.869627 0.963128
H -0.703201 -0.123682 -2.212747
H 0.347046 1.108658 -1.958311
C 2.755482 0.025006 -0.037763
C 3.318559 -0.356138 1.218022
C 4.214716 0.504129 1.882490
C 4.591581 1.727601 1.318940
C 4.122343 2.063916 0.045669
C 3.236816 1.216475 -0.649606
C 3.092417 -1.741177 1.845358
H 4.636136 0.203520 2.844714
H 5.273879 2.394726 1.851260
H 4.457268 2.990689 -0.426504
C 2.886927 1.608528 -2.088769
H 2.263936 0.815888 -2.531349
C 2.112885 2.947500 -2.146726
C 4.155601 1.684632 -2.971870
H 3.880715 1.912761 -4.015446
H 4.834259 2.476236 -2.616336
H 4.702821 0.729156 -2.951814
H 1.771283 3.161060 -3.173880
H 1.244162 2.946928 -1.467139
H 2.768180 3.774933 -1.830087
H 2.318226 -2.281921 1.277633
C 4.384050 -2.585988 1.729576
C 2.628549 -1.679378 3.319799
H 4.223404 -3.596153 2.142991
H 4.693983 -2.679059 0.677037
H 5.205137 -2.108147 2.288085
H 2.405706 -2.692346 3.693321
H 3.416682 -1.250681 3.958673
H 1.730088 -1.052756 3.449695
H -1.206873 -1.805662 -1.038515
C -2.257570 -3.555982 -0.433434
C -2.457291 -2.355145 -2.666221
H -1.485829 -4.224164 -0.850185
H -2.079375 -3.443755 0.649712
H -3.238808 -4.042019 -0.555823
H -1.700352 -3.032035 -3.096161
H -3.455301 -2.775133 -2.869910
H -2.394858 -1.382636 -3.183605
H -2.489973 2.485018 1.183165
C -4.278885 3.409722 0.460087
C -3.971446 2.266792 2.715583
H -4.028261 4.383218 0.913789
H -3.970583 3.425886 -0.597734
H -5.374291 3.291465 0.493281
H -3.750240 3.244899 3.175007
H -5.049966 2.068646 2.830716
H -3.421260 1.487899 3.267981
34
55
Ge 0.060900 1.246823 1.124659
N -1.408029 0.179459 -0.049582
N 1.421174 0.041174 -0.046452
Ge -0.051543 -1.089648 -1.094371
Cl 0.156832 3.180078 -0.099163
Cl -0.151850 -2.963982 0.202891
C -2.480955 -0.481186 0.781838
C -2.064104 1.007476 -1.124055
C -3.054515 0.235124 -2.013785
H -2.574971 1.855261 -0.637187
H -1.267349 1.438605 -1.747004
H -3.428284 0.909826 -2.800195
H -2.568500 -0.624630 -2.503558
H -3.917497 -0.135127 -1.441645
H -2.798737 -1.399396 0.262287
C -2.092753 -0.831547 2.224776
H -3.352197 0.197074 0.806253
H -2.898877 -1.442837 2.661684
H -1.166693 -1.419014 2.264435
H -1.972837 0.068927 2.846603
C 2.157768 0.800473 -1.119268
C 2.422930 -0.721477 0.785918
C 3.064224 -0.065667 -2.012255
H 1.409322 1.312458 -1.740910
H 2.753049 1.590359 -0.630791
H 3.501403 0.569839 -2.798552
H 3.887413 -0.521207 -1.443013
H 2.493311 -0.871618 -2.501808
H 2.654793 -1.662919 0.262234
H 3.354100 -0.128463 0.816670
C 1.997037 -1.040464 2.225497
H 2.740125 -1.726580 2.662950
H 1.958554 -0.135822 2.851454
H 1.019963 -1.538788 2.257736
55
56
Ge 0.094999 0.025947 -0.955093
N 0.573923 -1.475212 0.302637
N -0.535277 1.372409 0.446844
N 2.288564 -0.121746 -0.102823
N -2.046053 0.008823 -0.387174
C 1.904327 -1.282999 0.409093
C -1.847942 1.123089 0.314474
C 0.046022 2.447724 1.246503
C 0.997149 1.867045 2.312093
C 0.764750 3.454735 0.327441
H -0.765561 2.983092 1.769651
H 1.425856 2.678023 2.925138
H 0.450526 1.173724 2.971161
H 1.808076 1.311795 1.819126
H 1.241631 4.253077 0.920602
H 1.540384 2.936081 -0.252389
H 0.050887 3.913461 -0.375716
C -2.911576 2.031823 0.907421
H -3.919613 1.672369 0.683279
H -2.795922 2.079262 2.002661
H -2.803686 3.058112 0.520362
C -3.280807 -0.399355 -1.056413
C -4.328039 -0.988177 -0.082219
C -3.885055 0.681713 -1.983126
H -2.971260 -1.228301 -1.716943
H -5.162236 -1.432570 -0.650709
H -3.867979 -1.771688 0.538824
H -4.746884 -0.221326 0.587766
H -4.703759 0.250036 -2.582962
H -4.293760 1.531633 -1.415466
H -3.110457 1.061561 -2.667561
C 2.816394 -2.325965 1.039099
H 2.751605 -3.280723 0.492324
H 3.862242 -1.996502 1.046619
H 2.507213 -2.520711 2.078657
C 3.660706 0.131001 -0.532792
H 4.379527 -0.182744 0.250826
C 3.982328 -0.651095 -1.826528
C 3.854876 1.640119 -0.754355
H 4.887437 1.851692 -1.076852
H 3.164556 1.995982 -1.536587
H 3.650621 2.199739 0.170811
H 5.008371 -0.440648 -2.173677
H 3.882841 -1.735989 -1.659781
H 3.271287 -0.358187 -2.615935
C -0.175249 -2.532797 0.980702
C -0.969257 -1.957450 2.172609
C -1.097714 -3.254260 -0.018993
H 0.537606 -3.279759 1.370872
H -1.502794 -2.762467 2.706940
H -0.289046 -1.454467 2.878602
H -1.699737 -1.223906 1.804010
H -1.658567 -4.057666 0.486729
H -1.814655 -2.540007 -0.444292
H -0.508288 -3.693125 -0.839531
65
57
C 2.698090 0.078335 0.040263
P 2.279259 -1.309257 -0.997337
C 2.770152 -2.879082 -0.080943
Si 4.206865 0.272039 1.101442
C 4.547076 2.117542 1.496622
P 1.397254 1.228921 -0.086026
Ge -0.082371 0.160043 -1.693923
P -1.333791 -1.160536 -0.086598
C -0.514941 -1.847050 1.445199
C 4.021447 -0.647774 2.773750
C 5.768711 -0.435714 0.247012
C 0.735399 1.795567 1.572399
C 1.875377 2.874046 -0.835152
C 3.491777 -1.424256 -2.428169
C -1.875851 -2.746187 -0.911346
C -2.645458 -0.045463 0.237418
P -2.231297 1.416864 -0.673531
C -3.506346 1.778363 -2.000019
Si -4.279371 -0.503073 0.987880
C -5.443740 -1.351261 -0.277976
C -4.043864 -1.738513 2.433671
C -5.188004 1.048323 1.643342
C -2.463125 2.948043 0.388915
H -2.562780 -3.304886 -0.254378
H -2.398103 -2.503219 -1.848652
H -0.999060 -3.376162 -1.133667
H 0.059865 -2.750311 1.191588
H 0.169690 -1.105059 1.878260
H -1.291147 -2.104042 2.182848
H 3.850758 -2.882057 0.141051
H 2.221182 -2.940409 0.869778
H 2.537537 -3.767560 -0.691959
H 4.534019 -1.445540 -2.071150
H 3.296137 -2.332304 -3.024690
H 3.355269 -0.543285 -3.074927
H 2.619266 3.381621 -0.201367
H 2.312807 2.695256 -1.828975
H 0.986308 3.518684 -0.939278
H 1.565312 1.820100 2.296288
H 0.298286 2.802391 1.493006
H -0.037397 1.101180 1.932465
H -2.097413 3.841448 -0.145569
H -3.527062 3.093054 0.635318
H -1.898191 2.829546 1.323599
H -3.276959 2.732613 -2.504465
H -3.487660 0.969079 -2.746076
H -4.519412 1.841345 -1.567382
H 6.658611 -0.309534 0.889409
H 5.668510 -1.514065 0.034701
H 5.968038 0.073509 -0.711097
H 5.414274 2.215110 2.173602
H 4.774006 2.686967 0.579210
H 3.691695 2.609931 1.990849
H -6.415683 -1.624341 0.171921
H -5.645900 -0.688795 -1.137673
H -4.988851 -2.274629 -0.677362
H -6.148689 0.769094 2.110979
H -4.586582 1.583870 2.396924
H -5.413984 1.759417 0.829691
H -3.578886 -2.680676 2.092953
H -3.403172 -1.318417 3.227801
H -5.015342 -2.002220 2.888107
H 3.153813 -0.270377 3.343409
H 3.859307 -1.727344 2.610733
H 4.916951 -0.535252 3.411685
57
58
C -2.716061 -0.144975 0.203367
P -1.258524 -1.007014 -0.250522
C -1.496013 -2.421196 -1.441448
P -2.386660 1.569658 -0.124694
C -3.674498 2.255738 -1.295806
P -4.299419 -0.740430 0.859629
C -4.987168 -1.841613 -0.520300
C -2.779976 2.580284 1.404458
C -3.778681 -2.123222 2.037978
Ge -0.151268 0.811341 -1.418334
P 1.347958 1.366060 0.414858
C 2.595611 0.144647 0.251095
P 3.971268 0.163275 1.440343
C 3.845128 -1.518231 2.302186
C -0.380604 -1.868782 1.169927
C 0.696579 1.475555 2.156662
C 1.946277 3.116364 0.158850
P 2.262913 -0.778670 -1.238281
C 2.680294 -2.588212 -0.939115
C 3.539930 -0.392870 -2.564479
C 5.494299 -0.206088 0.388204
H 2.763650 3.329223 0.867362
H 2.327118 3.216675 -0.868935
H 1.127786 3.838716 0.316373
H 0.094585 2.387060 2.288477
H 0.080570 0.594325 2.382086
H 1.558221 1.505329 2.844239
H -3.824327 2.391364 1.704222
H -2.117209 2.275617 2.226817
H -2.649040 3.657601 1.207809
H -4.686127 2.052699 -0.904849
H -3.549775 3.344553 -1.422693
H -3.562928 1.766189 -2.275677
H -2.102321 -3.217798 -0.982046
H -2.005590 -2.054544 -2.344471
H -0.510916 -2.831729 -1.717198
H -0.841516 -1.533628 2.109631
H -0.478082 -2.964189 1.094085
H 0.686003 -1.590267 1.172369
H 2.503291 -3.166401 -1.861817
H 3.736083 -2.712283 -0.648295
H 2.044448 -2.991601 -0.137029
H 3.324576 -0.983600 -3.471682
H 3.468259 0.676085 -2.819876
H 4.566517 -0.610584 -2.230527
H -5.936028 -2.300932 -0.192592
H -5.191607 -1.217416 -1.404816
H -4.289359 -2.644483 -0.811230
H -4.675130 -2.664974 2.383611
H -3.097094 -2.848874 1.561157
H -3.273459 -1.692071 2.916746
H 6.378009 -0.295401 1.042290
H 5.389722 -1.143223 -0.183651
H 5.664196 0.621576 -0.317808
H 4.680997 -1.636380 3.013662
H 2.901254 -1.556425 2.869507
H 3.862049 -2.360679 1.591948
95
59
Ge -0.070080 -0.028075 -1.096872
N -1.641609 -1.176926 -1.036369
N -2.703189 -0.417322 -0.462613
P -2.094183 0.803681 0.660228
C -1.765524 -2.571223 -0.943874
C -0.746278 -3.360141 -1.530248
C -0.763136 -4.750571 -1.404109
C -1.815969 -5.397089 -0.731048
C -2.856900 -4.622175 -0.199204
C -2.843976 -3.223048 -0.301124
H 0.064009 -2.865955 -2.069306
H 0.049375 -5.335370 -1.841761
H -1.830484 -6.484750 -0.640293
H -3.696682 -5.107187 0.305016
H -3.666808 -2.638017 0.105299
C -3.896635 -0.293790 -1.240131
C -5.127386 -0.041698 -0.597294
C -6.301564 0.077361 -1.353158
C -6.271412 -0.072604 -2.749173
C -5.047927 -0.346077 -3.382793
C -3.865285 -0.455761 -2.639656
H -5.159626 0.044900 0.487760
H -7.247435 0.271199 -0.841878
H -7.189871 0.010356 -3.333572
H -5.009402 -0.471834 -4.467268
H -2.914813 -0.675881 -3.124506
C -2.511325 2.472453 0.005045
C -3.203550 0.616983 2.127649
C -3.577213 1.720098 2.924702
C -4.312700 1.522227 4.103836
C -4.675318 0.225643 4.502821
C -4.291051 -0.878277 3.721711
C -3.550548 -0.686618 2.547777
H -3.305485 2.730860 2.615882
H -4.607510 2.383720 4.707346
H -5.249471 0.075069 5.419502
H -4.566290 -1.889893 4.028561
H -3.254218 -1.543602 1.939542
C -1.430645 3.278350 -0.419760
C -1.662334 4.560343 -0.939235
C -2.974501 5.047919 -1.046993
C -4.054966 4.256486 -0.621006
C -3.826883 2.979287 -0.089506
H -0.405280 2.911018 -0.343891
H -0.813052 5.169805 -1.252493
H -3.156623 6.044295 -1.456349
H -5.076627 4.634637 -0.700330
H -4.667361 2.377485 0.251626
N 1.214094 -0.992461 -0.055000
N 2.486833 -0.367287 -0.219343
P 2.800004 0.796496 1.066624
C 1.165445 -2.063976 0.866901
C 2.286364 -2.895559 1.098011
C 2.196387 -3.963933 2.000572
C 0.997244 -4.227930 2.682072
C -0.112404 -3.395263 2.461184
C -0.028851 -2.317540 1.574677
H 3.212051 -2.711009 0.555206
H 3.070196 -4.600209 2.161346
H 0.929617 -5.066750 3.377574
H -1.051148 -3.577125 2.988909
H -0.885317 -1.665457 1.424559
C 3.280830 -0.762847 -1.325209
C 4.359204 0.033631 -1.776185
C 5.129181 -0.375210 -2.872170
C 4.844688 -1.569962 -3.552571
C 3.770345 -2.358199 -3.111228
C 2.995604 -1.968549 -2.010954
H 4.589001 0.971741 -1.279060
H 5.956085 0.259446 -3.199475
H 5.446215 -1.878681 -4.409456
H 3.529135 -3.294067 -3.621074
H 2.179277 -2.599006 -1.664916
C 4.639238 0.684023 1.290485
C 2.583219 2.447411 0.237356
C 2.552684 3.587327 1.072918
C 2.305374 4.861248 0.540112
C 2.060716 5.012766 -0.835535
C 2.066651 3.884070 -1.671084
C 2.329391 2.610635 -1.140510
H 2.717763 3.477487 2.148624
H 2.290635 5.732125 1.199374
H 1.862087 6.003226 -1.251228
H 1.869170 3.991181 -2.740014
H 2.331609 1.742140 -1.797575
C 5.519241 1.773975 1.131012
C 6.890978 1.621762 1.387951
C 7.400429 0.380320 1.799831
C 6.527897 -0.708243 1.967850
C 5.155782 -0.555700 1.726820
H 5.135172 2.737960 0.792460
H 7.562734 2.473273 1.255533
H 8.469107 0.261794 1.991706
H 6.915763 -1.676765 2.291699
H 4.481182 -1.402467 1.872094
85
60
Ge -0.068466 -0.129558 -1.542809
Si 1.999617 -0.281650 -0.072410
Si -0.917042 1.410771 0.274004
Si 1.233860 1.522340 1.264590
C 2.168517 3.183323 0.992462
C 1.257245 1.223576 3.166942
H 3.173878 3.141132 1.447783
H 2.295724 3.416855 -0.075815
H 1.621742 4.021990 1.459274
H 2.281974 1.017733 3.523825
H 0.889838 2.119999 3.696614
H 0.618927 0.376325 3.460245
Si 3.677269 0.504761 -1.529845
Si 2.951951 -1.935799 1.310420
C 4.362237 -0.927111 -2.608317
C 2.929842 1.815699 -2.710925
C 5.148087 1.317773 -0.603982
H 5.857102 1.766769 -1.323150
H 4.798671 2.117690 0.069452
H 5.705468 0.588182 0.006377
H 5.064328 -0.546261 -3.372026
H 4.902285 -1.671111 -1.997768
H 3.546705 -1.453104 -3.133893
H 3.694214 2.182632 -3.419943
H 2.095193 1.391301 -3.294154
H 2.534294 2.685792 -2.161399
C 1.777430 -2.490090 2.723361
C 3.527413 -3.504564 0.361518
C 4.505483 -1.198981 2.163889
H 4.011619 -4.212419 1.058751
H 2.699465 -4.039847 -0.132024
H 4.262613 -3.247952 -0.419547
H 4.865506 -1.870850 2.964352
H 5.330429 -1.055715 1.447215
H 4.285538 -0.217853 2.617168
H 2.235233 -3.312335 3.303007
H 1.597689 -1.652254 3.416065
H 0.795415 -2.834452 2.362918
Si -1.666137 3.480717 -0.531665
Si -2.384366 0.548539 1.903845
C -0.362966 4.188487 -1.744564
C -3.329375 3.344046 -1.486921
C -1.917345 4.742473 0.893650
H -2.211657 5.732760 0.500816
H -2.703703 4.411228 1.593537
H -0.990146 4.874919 1.477713
H -3.654017 4.340568 -1.837206
H -3.232448 2.697405 -2.375971
H -4.137975 2.934727 -0.856810
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C -2.419714 2.490956 -0.288504
C 0.000005 4.049883 -0.461360
C -2.444705 3.914614 -0.442921
C -1.285383 4.682017 -0.528039
C 1.285391 4.682018 -0.527980
C 2.444714 3.914621 -0.442792
C 2.419711 2.490964 -0.288360
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H -3.415804 4.411814 -0.494753
H -1.351832 5.766447 -0.645097
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H 3.354045 1.931858 -0.222177
24
70
C 3.376518 -1.249628 0.275731
C 2.035255 -1.567088 0.045721
C 4.002764 -0.000873 0.376744
C 3.377756 1.248278 0.272972
C 2.036620 1.566608 0.043361
C 0.898702 0.743186 -0.175964
C 0.898303 -0.742998 -0.176204
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H 5.078530 -0.001145 0.564259
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N -0.318215 -1.267802 -0.414420
Ge -1.859168 0.000878 -0.619390
C -0.547023 2.712545 -0.400125
C -0.547950 -2.711507 -0.404495
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H 0.059754 -3.222367 -1.172745
H -0.306618 -3.145432 0.581599
H -1.610194 2.901748 -0.605987
H -0.300718 3.145774 0.585033
H 0.057167 3.223661 -1.170997
Cl -2.490169 -0.001520 1.614256
36
71
C 3.555636 -1.430731 0.402990
C 2.201196 -1.673688 0.162556
C 4.232468 -0.225327 0.617065
C 3.649101 1.045905 0.600284
C 2.326362 1.427325 0.362790
C 1.142917 0.680218 0.092658
C 1.072363 -0.808137 0.057969
H 2.188525 2.505681 0.389760
H 4.328786 1.882300 0.788817
H 5.306657 -0.280910 0.804821
H 4.173895 -2.333014 0.429697
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N -0.039436 1.281015 -0.161267
N -0.176086 -1.282567 -0.135572
Ge -1.638517 0.076509 -0.396546
C -0.163872 2.757081 -0.257470
C -0.459982 -2.735123 -0.231107
C -1.925568 -3.050068 0.118994
C -0.115095 -3.246123 -1.646086
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C -1.626732 3.216927 -0.125264
H 0.383301 3.208021 0.588207
C 0.436748 3.251758 -1.590636
Cl -2.312973 0.157845 1.841920
H -2.056961 -4.143571 0.135626
H -2.196050 -2.637140 1.100375
H -2.614307 -2.640295 -0.638486
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31
72
Ge -0.357032 -1.247040 -1.270509
P 1.213625 -1.468523 0.447673
C 0.216237 -0.941639 1.964541
C -1.153041 -1.655041 1.952400
P -2.160805 -1.568454 0.335181
C 2.483940 -0.155652 0.199644
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H 0.765321 -1.202636 2.886159
H -1.780197 -1.277459 2.779514
H -1.010063 -2.732961 2.135953
C -2.430546 0.270994 0.137896
C 3.208643 -0.125515 -1.015025
C 4.189693 0.849446 -1.237714
C 4.476387 1.806116 -0.248427
C 3.773396 1.775118 0.965721
C 2.785910 0.802751 1.192168
H 2.995288 -0.864853 -1.791853
H 4.731368 0.861921 -2.186347
H 5.242997 2.564149 -0.421738
H 3.991764 2.510111 1.744210
H 2.253085 0.793734 2.144382
C -2.891448 0.757054 -1.116336
C -3.153878 2.120719 -1.313828
C -2.974090 3.034215 -0.263815
C -2.534142 2.569070 0.987177
C -2.258575 1.208835 1.185527
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H -3.503908 2.465461 -2.289330
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H -2.404146 3.269413 1.815708
H -1.932854 0.873029 2.170218
77
73
Ge -1.251151 -1.167843 -0.092222
C -0.384402 -0.580315 1.623439
C 1.005525 -0.302667 1.432166
C 1.388305 -0.214974 0.049999
N 0.408853 -0.336263 -0.858493
C 0.700157 -0.299481 -2.293406
C 2.804863 -0.069424 -0.403134
N 1.774486 -0.143925 2.585308
N -0.906267 -0.640076 2.856838
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H 1.362877 -1.126737 -2.600590
H -0.251484 -0.379096 -2.837743
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C 4.959223 -1.079004 -0.875988
C 5.486715 0.184236 -1.169268
C 4.665450 1.319177 -1.106505
C 3.313571 1.211563 -0.736336
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H 6.535349 0.285242 -1.458713
H 5.078627 2.298600 -1.352979
C 2.423207 2.449928 -0.641934
H 1.986997 -2.535267 0.033903
C 3.227361 -3.576650 -1.377459
C 3.737209 -3.201714 1.089443
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H 4.823085 -3.315997 0.934206
H 3.576839 -2.542187 1.955907
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H 2.726334 -3.175911 -2.273395
H 4.291692 -3.730315 -1.620043
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C 2.584741 3.129224 0.737806
C 2.670515 3.463629 -1.779094
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H 2.328721 2.435396 1.551675
H 3.626060 3.464389 0.878671
H 1.908842 4.257897 -1.735050
H 3.659139 3.941878 -1.685558
H 2.614996 2.979485 -2.767475
C 3.034971 0.112007 2.672012
H 3.462729 0.201166 3.679662
H 3.719881 0.251996 1.825418
C -2.310612 -0.928873 3.112738
H -0.255167 -0.540678 3.637558
H -2.545884 -0.683487 4.158176
H -2.941732 -0.322891 2.444488
H -2.538323 -1.996910 2.934469
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C -4.025478 -0.289091 -0.757382
C -5.147482 0.563393 -0.786074
C -5.038491 1.913068 -0.434892
C -3.792395 2.427892 -0.070566
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H -5.919005 2.560384 -0.456897
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C -4.602325 -2.576809 0.144879
C -5.278337 -2.008388 -2.231962
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H -5.526891 -2.178469 0.596076
H -0.525569 1.552034 0.287861
C -0.986733 3.428275 -0.637695
C -1.357364 2.815232 1.802392
H -0.388027 3.275786 2.056238
H -2.146208 3.574556 1.933619
H -1.543320 1.992635 2.509133
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61
74
Ge -0.009419 -0.139161 -1.161220
C -1.456067 -0.091493 0.296959
C -0.693880 -0.413210 1.630920
C 0.694462 0.269897 1.634606
C 1.449917 0.021999 0.274820
Si -2.326503 1.636210 0.345900
Si -2.755819 -1.429369 -0.172324
H -0.547802 -1.504632 1.729186
H -1.264968 -0.099969 2.525273
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Si 2.478472 -1.607094 0.364569
Si 2.608534 1.479593 -0.217544
C -1.940468 -3.095684 -0.635716
C -3.898765 -1.813998 1.307977
C -3.727143 -0.897268 -1.728669
H -4.480239 -1.661801 -1.989548
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H -1.384195 -3.548889 0.198742
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C -4.172938 1.574966 0.859151
H -4.579369 2.600578 0.794741
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H 4.012588 1.531895 1.886992
H 4.862960 0.629404 0.611722
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H 2.360917 3.972806 -0.292217
H 0.757454 3.209531 -0.406919
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C 1.407344 -3.182628 0.253566
C 3.757961 -1.745858 -1.044919
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95
75
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Si -1.273490 -2.712582 0.091089
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Si -3.026957 0.117913 1.972563
Si -3.587842 -0.359274 -1.744738
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C -2.434511 -3.811990 1.165243
C -1.202609 -3.497379 -1.666907
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H -2.092010 -4.862172 1.155478
H -2.455637 -3.475220 2.214840
H -3.469745 -3.791747 0.783713
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C -3.708555 1.913864 1.965656
C -4.568054 -0.993293 2.244279
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H -1.725954 -1.195398 3.681613
H -0.897614 0.342029 3.373919
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H -2.239053 -1.537462 -3.534335
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C 4.140840 1.825205 0.986508
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H 4.100581 -1.839997 2.738636
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H 1.954548 -0.088276 3.831649
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C 4.798711 -2.307854 -1.300044
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C 1.591401 3.453876 -1.526915
C -1.294343 3.625844 -0.810610
C 0.739519 3.520546 1.306873
H 0.962428 4.586209 1.138015
C -0.364664 3.371008 2.364768
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H 0.011262 3.684741 3.351635
H -1.234584 3.997771 2.117139
H -0.710053 2.330957 2.448742
C -1.270290 5.165111 -0.770586
H -1.549185 3.262787 -1.819310
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H -2.271354 5.563011 -1.003903
H -0.982273 5.539569 0.224477
H -0.563728 5.573111 -1.509097
C 2.299999 4.762880 -1.124792
H 2.333210 2.652545 -1.666123
H 1.076264 3.566247 -2.494833
H 2.986070 5.071509 -1.930312
H 1.588418 5.583360 -0.948857
H 2.896826 4.626460 -0.210269
76
76
C 1.863361 0.729019 -0.966952
C 0.785674 -0.123367 -0.609825
C 1.098291 -1.241694 0.212755
C 2.395514 -1.535826 0.638523
C 3.471759 -0.705164 0.273548
C 3.170555 0.405164 -0.525346
Ge -1.179497 -0.156071 -1.277219
N -1.008927 -2.305897 -0.466874
C -2.240671 -2.967640 0.017369
C -0.048829 -2.122407 0.658920
C 4.893270 -1.027010 0.767950
C 5.298488 -2.447710 0.295474
C 1.745963 2.056667 -1.765855
C 2.578822 1.946829 -3.071598
C 5.948978 -0.026890 0.247265
C 4.906338 -0.983518 2.318849
C 0.310826 2.456082 -2.170203
C 2.302341 3.222502 -0.898410
C -2.244458 0.406236 0.443132
H 2.568515 -2.413202 1.268015
H 3.985133 1.063500 -0.821943
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H -0.165286 -4.136466 -1.174208
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C -4.376826 0.133149 1.656186
C -3.816329 0.695429 2.810401
C -2.509874 1.183293 2.762981
C -1.727576 1.074773 1.591486
C -4.329250 -0.515183 -0.787613
H -5.416087 -0.198607 1.677396
H -4.407307 0.779192 3.726146
H -2.084878 1.676619 3.640826
C -0.375637 1.791207 1.612187
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C -4.793958 0.697445 -1.627536
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H -5.500533 1.313364 -1.046397
H -3.932158 1.324008 -1.905443
H 0.094246 1.662929 0.635154
C -0.575285 3.310993 1.824070
C 0.595320 1.218282 2.665897
H 1.565109 1.740407 2.609667
H 0.194653 1.345772 3.685648
H 0.777462 0.148152 2.490955
H 0.396251 3.831642 1.777856
H -1.235070 3.731589 1.048009
H -1.027844 3.522402 2.806747
75
77
C -0.589820 -1.484628 -0.350983
C -0.168309 -2.767383 0.060561
C -1.074210 -3.673887 0.636504
C -2.420962 -3.302542 0.780747
C -2.864207 -2.049197 0.321926
C -1.959632 -1.146606 -0.262140
C 1.279644 -3.141650 -0.214120
H -0.733788 -4.658030 0.972795
H -3.128884 -3.991740 1.247058
H -3.908908 -1.754378 0.433807
C -2.362015 0.233635 -0.769319
Ge 0.846509 -0.292539 -1.107132
H -1.938688 0.366758 -1.796644
N -3.800001 0.517431 -0.751481
H -1.844983 0.978932 -0.147867
C -4.049165 1.968332 -0.873603
C -4.483621 -0.220566 -1.835894
H -5.118054 2.103266 -1.097480
C -3.720354 2.759554 0.402581
H -3.487317 2.391259 -1.738677
H -4.023485 3.811363 0.270349
H -4.267274 2.337743 1.259928
H -2.646004 2.750028 0.639780
C -5.983463 -0.409662 -1.563450
H -4.328033 0.285916 -2.815590
H -4.014216 -1.212058 -1.915159
H -6.444252 -0.994881 -2.376270
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N -0.295654 -2.139638 -0.828238
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H -2.335238 -1.886157 -1.314557
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C -0.460705 -3.588202 -0.549210
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42
83
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N -1.594798 0.993151 0.434708
C -2.675937 0.116939 0.313351
C 2.545342 -0.128945 0.260283
C -2.524739 -1.249829 0.655454
C -3.562895 -2.180424 0.510706
C -4.813366 -1.763228 0.032084
C -5.002365 -0.418755 -0.323887
C -3.940457 0.485663 -0.211550
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F -5.822976 -2.644523 -0.091173
F -6.190423 -0.017976 -0.817925
F -4.138480 1.757223 -0.646278
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C 5.007742 -0.337450 0.119359
C 4.904384 -1.676484 -0.279984
C 3.630553 -2.246806 -0.423617
C 2.487174 -1.489479 -0.145276
F 4.020217 1.730832 0.673574
F 6.222204 0.235578 0.235342
F 6.010937 -2.402061 -0.529601
F 3.514688 -3.534713 -0.797597
F 1.283329 -2.095391 -0.267144
C -1.817033 2.314189 1.034416
H -1.378286 2.370420 2.048656
C -1.181038 3.375484 0.129419
H -2.885798 2.545041 1.140206
H -1.140643 4.367244 0.616415
N 0.190196 2.939894 -0.262624
H -1.777012 3.446559 -0.792021
C 1.296880 1.594633 1.547927
H 0.417704 1.384552 2.174366
H 2.181561 1.591223 2.200008
C 1.165013 2.986230 0.880535
H 0.852741 3.757596 1.605315
H 2.144664 3.260501 0.472496
C 0.683756 3.720537 -1.424382
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33
84
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O -0.182351 -1.436229 0.460088
O 0.182332 1.436278 0.459895
C 1.403129 1.680001 1.112143
H 1.218768 2.037969 2.145730
C 2.270053 0.407886 1.204293
H 1.980426 2.481717 0.601030
H 3.278553 0.635752 1.608409
H 1.766066 -0.315927 1.859842
N 2.358921 -0.228842 -0.128877
C 3.200140 0.543387 -1.059352
C 2.828291 -1.622344 -0.031924
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C -1.403184 -1.679827 1.112287
H -1.218918 -2.037840 2.145872
C -2.269907 -0.407583 1.204398
H -1.980583 -2.481455 0.601130
H -3.278374 -0.635167 1.608687
H -1.765577 0.316323 1.859575
N -2.358920 0.228864 -0.128990
C -3.200173 -0.543733 -1.059164
C -2.828450 1.622332 -0.032192
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H -2.776257 -1.548441 -1.194946
H -4.239752 -0.633892 -0.683116
101
85
C 1.261945 4.432357 1.074935
C 1.197150 3.682087 -0.113197
C 2.368458 3.077419 -0.605907
C 3.588836 3.246481 0.059749
C 3.648118 4.006391 1.239859
C 2.480208 4.590041 1.755075
C -0.096998 3.583019 -0.891982
N -0.892429 2.357137 -0.625401
C -1.402997 2.272535 0.753099
C -2.177302 0.930847 0.871937
O -3.347130 1.024833 -0.039939
C -3.097420 1.535645 -1.284301
C -1.957158 2.203266 -1.578430
C -4.217625 1.228818 -2.272271
C -5.560976 1.754915 -1.702072
O -1.377454 -0.123334 0.493645
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O 1.383762 0.126664 0.491400
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C -3.636835 -0.603154 2.275113
C -3.967695 1.876157 -3.649901
C -4.302164 -0.311026 -2.445074
C -1.686164 0.542010 3.333193
C -3.722881 1.882170 2.694585
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H -0.545358 2.270749 1.435498
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H -4.227532 1.640188 3.644507
H -3.147050 2.808762 2.851727
H -4.489879 2.069221 1.928894
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C 0.090901 -3.575968 -0.891008
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O 3.349589 -1.030180 -0.038123
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H -0.137127 -3.566845 -1.968595
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C -3.651039 -4.005128 1.245101
C -3.594217 -3.245007 0.065040
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H -4.497328 -2.776076 -0.328756
H -2.328714 -2.470672 -1.510436
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C 3.716668 -1.885562 2.699329
C 3.646204 0.599104 2.273453
C 1.687151 -0.531880 3.332088
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H 4.486584 0.519666 1.569043
H 3.021177 1.448657 1.974598
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48
86
C -3.097618 1.861803 0.447970
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N -2.155338 -0.112724 -0.519705
C -3.372455 -0.698681 -0.532027
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Si -0.152796 1.728178 -0.104750
C 0.001158 2.612547 -1.792400
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Cl -0.888789 -3.029033 -0.228629
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Si 0.850769 -0.551081 1.795767
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H -0.155871 2.614011 2.265718
52
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C -4.353971 -1.008076 0.960902
C -4.422495 -1.106243 -1.569878
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H -2.452415 2.131118 -2.340758
53
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C 2.597977 -1.039090 0.062153
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O -2.180350 -1.001229 -0.400367
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33
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C 2.474141 0.231447 -0.212383
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O 2.348211 -1.126331 -0.454259
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C -3.678610 0.892811 -0.065066
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93
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N -1.550967 -0.488445 0.488758
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C -2.952073 -0.823037 0.505300
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C 1.904986 4.968130 0.860981
C 1.400486 5.763660 -0.173634
C 0.526246 5.204512 -1.114442
C 0.150762 3.850879 -1.049549
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H 0.127398 5.830809 -1.914310
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C 3.129504 -2.342518 0.638317
C 4.145586 -3.297255 0.461834
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C -3.013596 -0.233108 -2.000814
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C 4.296751 -1.272925 2.663763
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100
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100
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H 3.267276 -2.682731 2.607944
H 2.187039 -4.860620 2.094270
H -0.008719 -4.912958 0.890872
H -0.651053 -3.554025 -1.856802
H -2.864497 -3.731323 -2.997710
H -4.946076 -3.088387 -1.784381
H -6.058027 -2.221709 0.230993
H -5.945972 -1.413281 2.582890
H -3.745866 -1.327494 3.773031
H -1.664483 -2.013491 2.612876
H 4.401978 3.227005 2.111697
H 5.648676 1.069317 1.891728
H 4.417413 -1.048165 1.589993
H 2.266908 4.419192 2.266118
H -0.207428 4.441197 2.483468
H -1.451001 2.274696 2.664022
H -0.174160 0.163262 2.763489
H 4.010460 -3.719949 -1.580933
H 1.578078 -3.588029 -2.087754
H 0.449134 -1.370216 -2.219643
H 3.952037 1.864949 -1.261521
H 6.381929 1.688629 -0.900855
H 7.498898 -0.553817 -0.819151
H 6.143723 -2.622854 -1.124512
H -1.190388 4.426237 0.314306
H -3.392070 4.846097 1.430864
H -5.325047 3.340196 0.967662
H -1.957081 0.659084 -2.608329
H -3.933040 -0.718120 -3.156447
H -6.116801 -0.328401 -1.997099
H -6.313864 1.468757 -0.286390
H -1.850943 0.176022 0.629249
114
6-H+
C -4.250910 0.327183 1.006710
C -3.770875 0.847246 -0.234051
C -4.626988 0.881354 -1.377469
C -5.912179 0.328864 -1.269131
C -6.381425 -0.243789 -0.072455
C -5.541431 -0.215557 1.057349
Ge -1.963252 1.503385 -0.379794
C -0.324316 0.715409 0.117685
C -0.169009 -0.724248 0.156156
C 1.128260 -1.240871 0.051485
C 2.278690 -0.416193 -0.002793
C 2.096453 0.982539 0.077677
C 0.834361 1.581002 0.155920
C -1.333738 -1.669687 0.252477
Si -1.252199 -2.807708 1.818962
C 0.009453 -4.223353 1.697175
C 3.653424 -0.981616 -0.133114
Si 3.993937 -1.398439 -2.002655
C 2.692621 -2.612427 -2.667221
C 0.747142 3.070745 0.335140
Si 1.485444 4.063725 -1.154904
C 3.384395 4.151203 -1.085794
C -4.190221 1.441126 -2.719671
C -7.749820 -0.882201 -0.005692
C -3.449049 0.420013 2.291362
Si -1.721380 -2.487603 -1.459988
C -0.730301 -4.078536 -1.772498
Si 4.107073 -2.385474 1.125020
C 5.979001 -2.272137 1.430996
Si 1.319264 3.511809 2.139006
C 3.089120 2.924663 2.510346
C -3.589590 -2.834092 -1.516192
C -1.263163 -1.211174 -2.804445
C -0.747806 -1.731167 3.312451
C -3.002526 -3.514656 2.067251
C 1.191253 5.392253 2.379912
C 0.100573 2.599645 3.285760
C 0.929307 3.176380 -2.748615
C 0.740377 5.812734 -1.120353
C 3.170240 -2.042815 2.745998
C 3.673302 -4.111992 0.445652
C 3.867938 0.246735 -2.951959
C 5.742374 -2.121906 -2.175579
H 1.253472 -2.322619 0.024907
H 2.978852 1.619224 0.106349
H -6.563072 0.337507 -2.146887
H -5.910521 -0.611257 2.006786
H -2.254946 -1.099853 0.444336
H -0.830455 -4.382008 -2.828970
H 0.344647 -3.950061 -1.570316
H -1.097505 -4.913286 -1.153771
H -3.877653 -3.273938 -2.486528
H -3.893796 -3.540483 -0.726923
H -4.173258 -1.908827 -1.378686
H -1.543957 -1.574790 -3.807779
H -1.783565 -0.247634 -2.656129
H -0.182649 -0.994867 -2.812950
H -0.080729 -4.856127 2.597690
H -0.141440 -4.870947 0.820750
H 1.044267 -3.849912 1.672252
H -3.105193 -3.957557 3.072719
H -3.776485 -2.735652 1.960434
H -3.227569 -4.307705 1.334728
H -0.423103 -2.374439 4.148214
H 0.098172 -1.069040 3.063685
H -1.570963 -1.100963 3.682985
H -0.312983 3.390299 0.392086
H 3.760431 4.779058 -1.912061
H 3.742913 4.598262 -0.143680
H 3.853066 3.159148 -1.193069
H 1.027471 6.368037 -2.029800
H -0.362791 5.778474 -1.091336
H 1.078907 6.397786 -0.251226
H 1.427752 3.603469 -3.635433
H 1.166174 2.100104 -2.718619
H -0.159124 3.275691 -2.904512
H 3.391824 3.294510 3.505339
H 3.161621 1.825318 2.528043
H 3.822479 3.303294 1.780030
H 1.336368 5.652972 3.442381
H 1.961513 5.926740 1.799603
H 0.207770 5.783928 2.070610
H 0.309088 2.815451 4.347424
H -0.944235 2.900118 3.088793
H 0.166524 1.507280 3.146455
H 4.378631 -0.169604 0.070297
H 2.847681 -2.782954 -3.746508
H 2.742633 -3.591584 -2.165463
H 1.672815 -2.217273 -2.537414
H 5.991155 -2.261455 -3.241692
H 6.503532 -1.452171 -1.741710
H 5.835780 -3.101987 -1.680963
H 4.067291 0.104443 -4.027954
H 2.862619 0.687655 -2.852966
H 4.594854 0.987465 -2.575890
H 3.427218 -2.786090 3.520052
H 3.430727 -1.045613 3.142558
H 2.079318 -2.067433 2.605370
H 6.294283 -3.016418 2.182325
H 6.559189 -2.457765 0.513244
H 6.262230 -1.276506 1.813920
H 3.865662 -4.883560 1.210949
H 2.618167 -4.208313 0.143698
H 4.292421 -4.358508 -0.432706
H -8.150452 -0.867803 1.019056
H -8.461893 -0.373025 -0.673095
H -7.693873 -1.937456 -0.326976
H -3.604580 2.369198 -2.614694
H -3.569437 0.717144 -3.273793
H -5.066322 1.667644 -3.344374
H -2.368314 0.296750 2.129217
H -3.601110 1.403849 2.768447
H -3.768799 -0.349786 3.008302
H -1.834254 2.815739 -1.164744
132
7-H+
C 3.606255 0.718520 1.270885
C 3.182445 0.981261 -0.068282
C 4.097764 0.900503 -1.153143
C 5.409033 0.475921 -0.887923
C 5.835460 0.146868 0.409356
C 4.928687 0.303190 1.475436
Ge 1.328397 1.411363 -0.413420
C -0.210018 0.416444 0.038984
C -1.485129 1.100563 0.013579
C -2.650737 0.328339 -0.038061
C -2.623066 -1.087272 0.006298
C -1.366893 -1.721321 0.129584
C -0.154423 -1.023208 0.162478
C -1.595226 2.598483 0.102966
Si -2.311637 3.107896 1.833758
C -4.174518 2.786514 2.006636
C -3.870587 -1.904174 -0.058653
Si -4.510460 -1.968578 -1.891971
C -4.847747 -0.224091 -2.563956
C 1.124972 -1.805694 0.249599
Si 1.514006 -2.611968 -1.467234
C 0.509296 -4.190515 -1.791417
C 3.726649 1.301331 -2.581583
C 4.140062 0.252211 -3.636949
C 7.236904 -0.390878 0.654689
C 8.326082 0.570128 0.124822
C 2.667253 0.984483 2.451405
C 2.524668 2.514191 2.666100
Si -2.306272 3.398448 -1.509904
C -4.205513 3.412534 -1.548848
Si -5.195189 -1.452465 1.284078
C -6.203906 -3.024151 1.636901
Si 1.238445 -2.915861 1.833412
C 0.419344 -4.627287 1.672311
C 4.331914 2.686931 -2.907029
C 7.383471 -1.794123 0.015413
C 3.088495 0.321555 3.776709
C -1.629955 5.174181 -1.606792
C -1.631604 2.385137 -2.978563
C -1.365271 2.056423 3.111039
C -1.940795 4.954940 2.088532
C 3.098888 -3.152495 2.175479
C 0.364103 -1.986781 3.248889
C 1.010403 -1.354404 -2.813084
C 3.385939 -2.945980 -1.526920
C -4.254244 -0.940942 2.859047
C -6.359748 -0.067718 0.688960
C -3.116537 -2.771917 -2.911024
C -6.084600 -3.030939 -1.963209
H -3.611860 0.838561 -0.069491
H -1.338985 -2.809507 0.189642
H 6.113266 0.387344 -1.715541
H 5.276959 0.089678 2.486416
H -0.583323 3.041782 0.196780
H -4.556283 3.769842 -2.532601
H -4.640412 2.412617 -1.394383
H -4.622757 4.088924 -0.785384
H -1.917912 5.648307 -2.560715
H -2.011407 5.809345 -0.791199
H -0.527252 5.187933 -1.551746
H -2.028558 2.763572 -3.935826
H -0.530309 2.443067 -3.033285
H -1.903102 1.319658 -2.900954
H -4.496710 3.048689 3.029564
H -4.771246 3.390396 1.305581
H -4.429286 1.729408 1.847649
H -2.170528 5.255324 3.125233
H -0.879305 5.191864 1.901580
H -2.546946 5.588348 1.420018
H -1.655819 2.323730 4.141331
H -1.565519 0.981065 2.973314
H -0.276034 2.204454 3.022143
H 1.975054 -1.122095 0.398818
H 0.666023 -4.520221 -2.833157
H 0.797520 -5.021796 -1.131205
H -0.571310 -4.013896 -1.666436
H 3.699218 -3.278187 -2.531600
H 3.960473 -2.038317 -1.277415
H 3.678995 -3.732853 -0.812276
H 1.254687 -1.739271 -3.818007
H -0.074203 -1.159350 -2.782506
H 1.524221 -0.384061 -2.714773
H 0.371964 -5.098515 2.669870
H -0.611920 -4.580763 1.285938
H 0.992666 -5.303683 1.018733
H 3.275984 -3.479615 3.214348
H 3.524810 -3.924125 1.512244
H 3.671244 -2.225515 2.007859
H 0.514499 -2.508138 4.209775
H 0.725605 -0.954446 3.369756
H -0.721537 -1.936523 3.061552
H -3.603650 -2.957780 0.155237
H -5.181460 -0.283123 -3.614336
H -5.632979 0.297083 -1.994749
H -3.940746 0.399696 -2.540305
H -6.384742 -3.201021 -3.011542
H -5.928532 -4.018143 -1.497037
H -6.931675 -2.547601 -1.449631
H -3.385425 -2.838030 -3.979157
H -2.184159 -2.187458 -2.834639
H -2.897076 -3.795395 -2.561086
H -4.945895 -0.614058 3.654091
H -3.674791 -1.794579 3.252527
H -3.545964 -0.119813 2.669394
H -6.914940 -2.848398 2.462480
H -6.784371 -3.352489 0.760492
H -5.548253 -3.858981 1.939046
H -7.053920 0.221228 1.496935
H -5.829873 0.844894 0.373504
H -6.970157 -0.408949 -0.163685
H 7.371521 -0.495602 1.744355
H 2.626498 1.404014 -2.652062
H 1.669961 0.585998 2.189294
H 3.751263 0.546322 -4.623974
H 5.236262 0.188006 -3.714881
H 3.751407 -0.744439 -3.385718
H 4.044765 3.000239 -3.923366
H 3.988828 3.449585 -2.189987
H 5.431309 2.639821 -2.856106
H 2.300974 0.479045 4.528578
H 3.243748 -0.759961 3.660476
H 4.015986 0.771143 4.165881
H 1.842932 2.720983 3.505588
H 3.506865 2.958466 2.892380
H 2.129570 3.028101 1.770299
H 8.381647 -2.205647 0.232916
H 6.622558 -2.489181 0.404434
H 7.266936 -1.733140 -1.078968
H 9.324516 0.166971 0.355439
H 8.252242 0.683309 -0.968940
H 8.235803 1.567492 0.582703
H 1.083724 2.689572 -1.229994
66
8-H+
C -2.767566 -0.167604 -0.318823
C -1.484151 0.304780 -0.744050
C -1.107759 1.679629 -0.555049
C -1.941361 2.559732 0.163633
C -3.170979 2.072328 0.677573
C -3.553547 0.754756 0.398835
Ge 0.027713 -0.856362 -1.084024
C 1.780090 -0.465294 -0.350653
C 2.780656 -0.031094 -1.258736
C 4.064104 0.332451 -0.784351
C 4.330966 0.247905 0.602125
C 3.330875 -0.223439 1.472533
C 2.050058 -0.596625 1.039614
C 2.517580 0.076490 -2.752001
C 1.009860 -1.141446 2.045560
C 1.678863 -1.786297 3.288234
C 5.681154 0.631002 1.176562
C 5.115095 0.801574 -1.773500
C 0.174722 2.244682 -1.148547
C -1.518314 4.002398 0.376906
C -4.098296 2.952667 1.488771
C -3.428239 -1.548921 -0.571474
C -4.758499 -1.305911 -1.349163
C -2.616291 -2.547557 -1.421323
C -3.747741 -2.238649 0.783979
C 0.083771 0.008092 2.522102
C 0.162058 -2.254526 1.394356
H 5.696948 0.497331 2.267787
H 1.525197 -0.308686 -3.055721
H -5.005625 2.406051 1.782584
H 0.977704 2.333173 -0.398396
H 6.488319 0.016355 0.744912
H 5.925837 1.683599 0.957322
H 2.572952 1.122678 -3.096794
H 3.264225 -0.492553 -3.328435
H -3.602096 3.313932 2.405030
H -4.402994 3.844550 0.916522
H 0.554078 1.640135 -1.984677
H -0.008513 3.249064 -1.558553
H 3.586175 -0.307920 2.528101
H -4.527728 0.432213 0.765693
H -3.256547 -3.412481 -1.651767
H -2.291870 -2.110737 -2.378006
H -1.744426 -2.955008 -0.883304
H -5.258995 -2.272456 -1.517190
H -5.450936 -0.657255 -0.795527
H -4.555895 -0.841273 -2.326788
H -4.247170 -3.201892 0.594730
H -2.825184 -2.433950 1.353859
H -4.413460 -1.627002 1.409067
H -0.657618 -0.377094 3.241438
H 0.681002 0.785373 3.022516
H -0.454676 0.471409 1.684106
H 0.907496 -2.260922 3.913757
H 2.418147 -2.548260 2.997708
H 2.178456 -1.027259 3.907541
H -0.550227 -2.690974 2.112320
H -0.535646 -1.853594 0.605718
H 0.775469 -3.051412 0.949309
H -1.589783 4.578384 -0.562686
H -2.143782 4.507364 1.122762
H -0.471631 4.064986 0.713300
H 4.747746 1.653972 -2.369731
H 6.041495 1.112899 -1.276684
H 5.369684 0.001098 -2.489540
H -0.005590 -2.046980 -2.052200
58
9-H+
C -1.381794 0.043731 0.312558
Si -2.379546 -1.640585 0.441909
C -1.354549 -2.834305 1.505641
Ge 0.001098 0.046028 -1.000210
C 1.891442 0.164248 -0.724835
Si 2.494337 -1.615322 -0.136144
C 1.503707 -2.914900 -1.125571
Si -2.525094 1.601927 -0.075154
C -3.759363 1.154009 -1.442529
Si 2.490981 1.657883 0.387938
C 1.353468 1.804295 1.905397
C -3.332469 2.113825 1.557785
C -1.422786 3.026007 -0.712667
C -4.037727 -1.354044 1.319463
C -2.645951 -2.332464 -1.307130
C 4.277728 1.365641 0.950139
C 2.402593 3.214389 -0.693980
C 4.325580 -1.788593 -0.579816
C 2.171780 -1.784270 1.725062
H -0.890680 0.220978 1.286076
H -1.910123 -3.778458 1.640922
H -0.377938 -3.086720 1.066289
H -1.173431 -2.417297 2.511109
H -4.556060 -2.324676 1.409121
H -3.892709 -0.964852 2.340594
H -4.713154 -0.668353 0.786127
H -3.242526 -3.259061 -1.254866
H -3.191647 -1.626526 -1.953359
H -1.700745 -2.590693 -1.816839
H -4.370231 2.037636 -1.694788
H -3.242640 0.842232 -2.366271
H -4.449239 0.345561 -1.156342
H -3.921483 3.035222 1.408597
H -4.008176 1.339502 1.949421
H -2.573432 2.328237 2.329126
H -2.041790 3.915935 -0.920754
H -0.656394 3.324571 0.020447
H -0.909112 2.785299 -1.663842
H 2.317484 0.298138 -1.738418
H 1.751096 2.568451 2.594726
H 0.328515 2.109884 1.639989
H 1.293336 0.857655 2.466374
H 4.621498 2.246367 1.519983
H 4.380349 0.487902 1.607268
H 4.963558 1.237221 0.097119
H 2.721777 4.101736 -0.120895
H 3.072314 3.131005 -1.566943
H 1.384615 3.411969 -1.067657
H 1.809659 -3.935522 -0.837400
H 0.410799 -2.866699 -0.967296
H 1.689398 -2.813216 -2.209005
H 4.651341 -2.823557 -0.375451
H 4.502484 -1.594517 -1.651055
H 4.967422 -1.111712 0.002152
H 2.360530 -2.820157 2.054604
H 2.831188 -1.125972 2.313271
H 1.130399 -1.543503 1.990552
H -0.480826 -0.066937 -2.462758
70
10-H+
C 0.268659 1.973885 0.000000
Si -0.038479 2.953991 1.681360
C -0.353454 1.688548 3.071514
Ge -0.642800 0.286654 0.000000
C -0.018669 -1.540928 0.000000
Si 1.101962 -1.813868 1.621283
C 0.023068 -1.807423 3.188732
Si -0.038479 2.953991 -1.681360
C 1.573281 3.903274 -1.989605
Si -1.667573 -2.625675 0.000000
C -2.743288 -2.215311 1.520553
Si 1.101962 -1.813868 -1.621283
C 2.421360 -0.447170 -1.781676
C -0.353454 1.688548 -3.071514
C -1.547615 4.098526 -1.633035
C 1.573281 3.903274 1.989605
C -1.547615 4.098526 1.633035
C -2.743288 -2.215311 -1.520553
C -1.258781 -4.477605 0.000000
C 2.004734 -3.485552 -1.606748
C 0.023068 -1.807423 -3.188732
C 2.004734 -3.485552 1.606748
C 2.421360 -0.447170 1.781676
H 1.349057 1.745023 0.000000
H -0.493556 2.214358 4.031770
H -1.284193 1.115882 2.897178
H 0.468096 0.969903 3.206540
H 1.507644 4.472567 2.932652
H 2.436860 3.221640 2.070833
H 1.785520 4.621039 1.180122
H -1.797821 4.379843 2.670679
H -1.365378 5.027876 1.074339
H -2.437856 3.614086 1.200672
H 1.507644 4.472567 -2.932652
H 1.785520 4.621039 -1.180122
H 2.436860 3.221640 -2.070833
H -0.493556 2.214358 -4.031770
H 0.468096 0.969903 -3.206540
H -1.284193 1.115882 -2.897178
H -1.797821 4.379843 -2.670679
H -2.437856 3.614086 -1.200672
H -1.365378 5.027876 -1.074339
H 2.872687 -0.525684 -2.786303
H 2.029636 0.575479 -1.683792
H 3.236639 -0.566452 -1.052475
H 2.226377 -3.735680 -2.659245
H 2.962311 -3.445437 -1.068899
H 1.413744 -4.311681 -1.187411
H 0.674247 -1.599502 -4.055525
H -0.428064 -2.798561 -3.353936
H -0.786198 -1.065664 -3.195994
H 0.674247 -1.599502 4.055525
H -0.786198 -1.065664 3.195994
H -0.428064 -2.798561 3.353936
H 2.226377 -3.735680 2.659245
H 1.413744 -4.311681 1.187411
H 2.962311 -3.445437 1.068899
H 2.872687 -0.525684 2.786303
H 3.236639 -0.566452 1.052475
H 2.029636 0.575479 1.683792
H -3.771322 -2.559360 1.313715
H -2.406223 -2.717128 2.437986
H -2.808210 -1.134916 1.736233
H -3.771322 -2.559360 -1.313715
H -2.808210 -1.134916 -1.736233
H -2.406223 -2.717128 -2.437986
H -2.204345 -5.047206 0.000000
H -0.691231 -4.784662 -0.892639
H -0.691231 -4.784662 0.892639
H -2.178331 0.478576 0.000000
95
11-H+
C -0.981982 -0.073524 -1.123191
C 0.035138 0.883012 -1.125079
C 0.934389 0.968068 -0.041315
C 0.769903 0.078820 1.042894
C -0.248286 -0.876684 1.041133
C -1.149145 -0.986239 -0.049035
N 1.978351 1.956621 -0.000491
Si 1.619048 3.727835 -0.358429
C 1.492788 3.970029 -2.233986
N -2.170820 -1.953383 -0.092959
Si -1.707386 -3.693688 -0.179448
C -0.335735 -4.099150 1.076168
Ge 3.651032 1.364791 0.286524
N 4.134284 -0.324027 -0.009070
Si 3.664222 -1.138934 -1.578150
C 3.227259 0.231686 -2.816532
Ge -4.029076 -1.471989 -0.362043
N -3.994128 0.345088 0.169782
Si -3.704390 0.771414 1.874190
C -2.217940 1.939208 2.092034
C -3.241660 -4.735701 0.209919
C -1.083883 -4.043049 -1.939869
C 0.012709 4.149879 0.524828
C 3.100528 4.705801 0.309112
Si -4.763527 1.507070 -0.940425
C -6.646659 1.590434 -0.703241
Si 5.143257 -1.159613 1.264095
C 4.461662 -2.916003 1.447429
C -3.995586 3.231568 -0.689515
C -4.411379 0.945444 -2.731645
C -5.232137 1.655327 2.591514
C -3.422314 -0.821099 2.885319
C 6.965600 -1.131949 0.763122
C 4.891590 -0.201714 2.889430
C 5.188703 -2.089550 -2.179901
C 2.201870 -2.302177 -1.321838
H 1.424895 0.173405 1.913093
H -0.372555 -1.533119 1.899888
H -1.655009 -0.150929 -1.976216
H 0.151260 1.547436 -1.980737
H -2.972608 -5.806490 0.197372
H -4.052090 -4.589536 -0.522458
H -3.646478 -4.506195 1.210181
H -1.899661 -3.924564 -2.673303
H -0.695038 -5.071889 -2.034482
H -0.274102 -3.350678 -2.221989
H -0.653521 -3.903110 2.114238
H 0.587369 -3.529803 0.884565
H -0.088050 -5.172892 1.004623
H -0.213976 5.222418 0.397001
H 0.065871 3.937591 1.604061
H -0.833009 3.575621 0.118980
H 3.268801 4.543444 1.386529
H 2.889740 5.780133 0.169654
H 4.043666 4.499938 -0.225028
H 0.539070 3.602343 -2.644844
H 2.313039 3.466617 -2.772337
H 1.553530 5.047033 -2.469069
H -4.400845 3.939515 -1.433445
H -2.900253 3.198151 -0.815150
H -4.206037 3.645416 0.310123
H -3.334105 0.969995 -2.969650
H -4.924315 1.608573 -3.450049
H -4.775215 -0.079675 -2.929933
H -6.917052 1.889507 0.321817
H -7.111271 0.607731 -0.896034
H -7.104460 2.315315 -1.399200
H -5.067449 1.895341 3.656917
H -6.133343 1.023600 2.524312
H -5.449506 2.602589 2.070572
H -4.300313 -1.490125 2.839121
H -3.266789 -0.564726 3.947773
H -2.549396 -1.394294 2.538937
H -2.453482 2.947294 1.717195
H -1.325346 1.579316 1.561943
H -1.963266 2.034947 3.163011
H 4.955530 -2.567047 -3.147448
H 5.491502 -2.888819 -1.485473
H 6.054175 -1.425270 -2.334220
H 2.405300 -3.061617 -0.551718
H 1.989145 -2.835761 -2.264116
H 1.294169 -1.754713 -1.031406
H 4.060613 0.942022 -2.959804
H 2.330790 0.793897 -2.514282
H 3.013264 -0.218428 -3.801176
H 7.590823 -1.565434 1.562749
H 7.315158 -0.099126 0.593378
H 7.153298 -1.705855 -0.157363
H 5.352896 0.800718 2.882356
H 5.362179 -0.758155 3.718285
H 3.823279 -0.088930 3.148022
H 4.577326 -3.516722 0.531625
H 3.391723 -2.904708 1.712955
H 5.003350 -3.437947 2.255183
H 4.590656 2.335051 0.998059
56
12-H+
C 2.940988 2.193354 1.059438
Si 1.791222 1.721248 -0.366384
C 2.627155 1.913496 -2.053918
C 0.230062 2.795236 -0.328809
N 1.338927 -0.045040 -0.191823
Ge -0.294174 -0.670822 -0.537624
N -1.883867 -0.050190 0.036751
C -3.038266 -0.306799 -0.953389
C -3.462654 -1.794385 -0.932654
Si 2.608559 -1.296569 0.239777
C 4.201231 -0.947231 -0.714511
C 2.879503 -1.206432 2.110955
C 1.934228 -3.018204 -0.208341
C -2.099036 0.332593 1.499926
C -2.687550 1.761954 1.656722
C -3.010338 -0.714085 2.186384
C -0.751471 0.293338 2.257604
C -4.265820 0.589441 -0.680470
C -2.551254 0.075513 -2.379980
H 3.209464 3.260453 0.972595
H 3.880526 1.618632 1.059800
H 2.456130 2.051535 2.039320
H 3.544014 1.312646 -2.146925
H 2.900815 2.970543 -2.216610
H 1.945791 1.618511 -2.870466
H -0.151065 2.945189 0.692275
H -0.594901 2.395247 -0.940442
H 0.486046 3.788725 -0.735769
H 3.632880 -1.953147 2.416420
H 3.237994 -0.217183 2.433191
H 1.952039 -1.426607 2.665479
H 2.688594 -3.763895 0.097039
H 1.003078 -3.288381 0.322941
H 1.762499 -3.150788 -1.289146
H 4.953248 -1.711191 -0.451151
H 4.046402 -0.994314 -1.804410
H 4.635628 0.035515 -0.472460
H -4.995564 0.389724 -1.479142
H -4.760283 0.372384 0.272306
H -4.000563 1.654318 -0.717330
H -4.257358 -1.956565 -1.676987
H -2.619760 -2.454486 -1.190987
H -3.846617 -2.088012 0.052091
H -3.398919 0.021962 -3.079142
H -2.160342 1.105050 -2.391337
H -1.786973 -0.612642 -2.777974
H -3.109036 -0.445233 3.249508
H -4.017743 -0.748989 1.758071
H -2.563150 -1.717803 2.119183
H -2.468631 2.126265 2.671888
H -2.235586 2.454680 0.935946
H -3.775322 1.784433 1.532537
H -0.947720 0.539382 3.310706
H -0.298881 -0.713651 2.240729
H -0.025929 1.016781 1.866662
H -0.370272 -1.838418 -1.520184
56
13-H+
C -3.172453 2.411622 0.110895
Si -2.016787 1.319402 1.136067
C -0.432533 2.260796 1.571691
N -1.597469 -0.174126 0.157093
Si -2.908777 -1.074096 -0.765469
C -3.186406 -0.139566 -2.387768
Ge 0.029186 -0.898038 0.155540
N 1.599953 -0.077717 -0.012516
Si 1.888348 1.317197 -1.166874
C 3.108212 0.676828 -2.469093
Si 3.017278 -0.986282 0.740574
C 4.438225 0.231064 1.002598
C -2.291615 -2.829668 -1.151978
C -4.482770 -1.152560 0.276368
C -2.828931 0.722595 2.738539
C 2.405815 -1.622032 2.423095
C 3.493615 -2.407741 -0.412447
C 0.254819 1.731048 -2.036616
C 2.610363 2.806352 -0.245250
H -3.425625 3.314973 0.692383
H -4.119784 1.911146 -0.143894
H -2.701183 2.742653 -0.829036
H -3.764877 0.171067 2.567322
H -3.062998 1.589795 3.380335
H -2.147460 0.065922 3.306379
H -0.029038 2.819181 0.715408
H 0.369249 1.611242 1.958725
H -0.670765 2.992892 2.362605
H -3.973515 -0.639380 -2.978605
H -3.500939 0.902135 -2.222833
H -2.270885 -0.121565 -3.002182
H -3.081106 -3.341195 -1.729418
H -1.382336 -2.856522 -1.778681
H -2.104588 -3.434012 -0.249168
H -5.260415 -1.691379 -0.292303
H -4.325854 -1.694919 1.222590
H -4.884387 -0.156022 0.516083
H 5.254550 -0.297526 1.525015
H 4.852479 0.626895 0.063192
H 4.137142 1.082915 1.632166
H 4.329207 -2.990224 0.012023
H 2.653490 -3.106031 -0.568700
H 3.811870 -2.036844 -1.400077
H 3.230605 -2.119660 2.961523
H 2.054117 -0.791548 3.059495
H 1.591401 -2.363238 2.342912
H 3.322526 1.478139 -3.197598
H 4.070433 0.362793 -2.035650
H 2.692356 -0.178839 -3.026565
H 2.388066 3.731468 -0.804909
H 2.197668 2.923429 0.767687
H 3.704872 2.729214 -0.157593
H 0.444823 2.538665 -2.764849
H -0.132381 0.869805 -2.607320
H -0.544818 2.070233 -1.364083
H 0.107872 -2.415064 0.337921
92
14-H+
C -3.799282 -0.831291 1.820678
Si -1.973320 -0.990682 1.322359
C -1.619054 -2.814449 0.872319
C -2.552365 -3.367904 -0.230080
C -4.216294 -1.930145 2.833587
C -0.760763 -0.420602 2.673053
C -0.571559 -1.421387 3.840329
N -1.657288 -0.000223 -0.179957
Ge -0.113291 -0.506017 -0.945670
N 1.503674 -0.031222 -0.384778
Si 2.861385 -1.158525 -0.922121
C 2.921406 -1.090563 -2.821682
C 3.892323 -2.134599 -3.429982
Si -2.920941 0.866710 -1.148976
C -3.955529 -0.395179 -2.122311
C -5.115750 0.257547 -2.915813
C -4.006952 1.932345 -0.012909
C -3.243294 2.744191 1.058923
C -2.040285 2.034018 -2.380663
C -0.926374 1.413002 -3.246722
Si 1.861838 1.539754 0.493999
C 2.700875 1.066249 2.140387
C 2.333644 1.983134 3.333051
C 2.987832 2.555022 -0.663185
C 3.978396 3.467846 0.104037
C 0.245057 2.500519 0.755650
C 0.481602 3.998381 1.075128
C 4.547537 -0.612063 -0.216187
C 5.072365 -1.383183 1.018960
C 2.345408 -2.885596 -0.304551
C 2.048337 -2.976166 1.213951
H -4.437737 -0.904125 0.924402
H -3.984213 0.165145 2.253640
H -1.729846 -3.413869 1.793171
H -0.562486 -2.959951 0.574535
H -1.088701 0.557166 3.068256
H 0.217596 -0.237660 2.197904
H -4.543902 2.627977 -0.684231
H -4.785847 1.316512 0.463688
H -2.837457 2.402873 -3.050764
H -1.652404 2.925588 -1.858404
H -3.298825 -0.955977 -2.813716
H -4.357974 -1.147476 -1.421732
H 5.255930 -0.757180 -1.053034
H 4.566736 0.468718 -0.011325
H 1.909600 -1.241578 -3.240849
H 3.226368 -0.072184 -3.125400
H 3.134758 -3.610799 -0.570417
H 1.453158 -3.206534 -0.877219
H 3.547833 1.895514 -1.346789
H 2.335807 3.173518 -1.306502
H 2.429048 0.024351 2.381557
H 3.794430 1.065467 2.003797
H -0.372381 2.422346 -0.153467
H -0.353486 2.036215 1.551528
H -0.479701 4.522331 1.202000
H 1.054662 4.128131 2.005224
H 1.033687 4.500465 0.265425
H 2.812646 1.628987 4.259916
H 2.669585 3.017277 3.159682
H 1.245336 2.005762 3.501901
H 4.584388 4.067558 -0.593574
H 3.448330 4.165685 0.771719
H 4.669498 2.873802 0.724355
H 3.931357 -2.047657 -4.527290
H 4.918390 -1.997228 -3.050671
H 3.579046 -3.162443 -3.184983
H 1.592019 -3.945519 1.471320
H 2.969463 -2.871469 1.803437
H 1.355996 -2.183921 1.541122
H 6.101060 -1.070180 1.258849
H 4.448805 -1.196150 1.905490
H 5.086882 -2.469473 0.838869
H 0.158875 -1.036634 4.570260
H -1.515549 -1.600171 4.377947
H -0.203431 -2.393469 3.476479
H -2.328056 -4.422533 -0.455623
H -3.607408 -3.309346 0.081742
H -2.457209 -2.793195 -1.165882
H -5.278725 -1.821815 3.103271
H -4.077329 -2.938256 2.412570
H -3.629415 -1.868894 3.763295
H -5.700308 -0.500289 -3.461237
H -5.805909 0.792380 -2.243269
H -4.740184 0.982622 -3.656719
H -0.567566 2.101766 -4.029436
H -0.013320 1.188437 -2.646703
H -1.249542 0.482231 -3.741265
H -3.933203 3.370530 1.646599
H -2.709232 2.079429 1.756143
H -2.492208 3.406768 0.601501
H -0.126271 -1.583293 -2.035966
56
15-H+
C -3.242977 2.435608 -0.032434
Ge -2.016835 1.398022 1.118773
C -0.340137 2.363392 1.528126
N -1.585753 -0.239418 0.163208
Ge -3.021769 -1.205283 -0.732000
C -3.271838 -0.274814 -2.458834
Ge 0.030862 -0.969393 0.161811
N 1.592263 -0.138195 0.019585
Ge 1.895674 1.368649 -1.165747
C 3.162462 0.666073 -2.516295
Ge 3.130244 -1.105238 0.732486
C 4.558565 0.234717 0.981180
C -2.402958 -3.067121 -1.013174
C -4.624033 -1.144893 0.420485
C -2.853257 0.801828 2.808664
C 2.496984 -1.822862 2.466802
C 3.587335 -2.528707 -0.560520
C 0.179888 1.803564 -2.050911
C 2.672892 2.866513 -0.130158
H -3.543647 3.356041 0.494276
H -4.154046 1.864314 -0.264286
H -2.758984 2.721659 -0.978539
H -3.793358 0.260717 2.634216
H -3.068990 1.678261 3.442010
H -2.164556 0.141620 3.360145
H -0.006941 2.987573 0.688108
H 0.471691 1.666141 1.784001
H -0.516940 3.019931 2.395670
H -4.088647 -0.749602 -3.026930
H -3.523744 0.784675 -2.307476
H -2.353451 -0.333035 -3.064524
H -3.208504 -3.626456 -1.516308
H -1.512095 -3.118777 -1.660356
H -2.179760 -3.574344 -0.061706
H -5.443159 -1.684606 -0.082422
H -4.432869 -1.632924 1.388046
H -4.960034 -0.113684 0.603702
H 5.429905 -0.257717 1.442840
H 4.882175 0.674039 0.026680
H 4.226157 1.044823 1.646962
H 4.456070 -3.105814 -0.204256
H 2.742473 -3.225437 -0.683557
H 3.834400 -2.100315 -1.543525
H 3.327830 -2.300975 3.010415
H 2.099587 -1.010764 3.097268
H 1.710323 -2.582769 2.328896
H 3.409816 1.461377 -3.238716
H 4.100564 0.323472 -2.054919
H 2.716245 -0.175705 -3.068684
H 2.275379 3.825864 -0.498839
H 2.429342 2.781186 0.937824
H 3.767235 2.879316 -0.241872
H 0.376350 2.545837 -2.842313
H -0.258510 0.911667 -2.524918
H -0.560205 2.225990 -1.359614
H 0.108114 -2.494301 0.315240
92
16-H+
C -3.862088 -1.382356 1.585710
C -4.185131 -2.679040 2.366163
Ge -1.930914 -1.327518 1.137022
C -0.740319 -0.879250 2.662644
C -0.475494 -2.077036 3.602465
N -1.624319 -0.000663 -0.245638
Ge -3.031197 1.030385 -1.055547
C -4.209387 1.723470 0.385881
C -3.448533 2.252045 1.619480
Ge -0.090187 -0.327186 -1.096422
N 1.492886 0.031997 -0.394732
Ge 1.794390 1.497087 0.843784
C 2.964259 2.747651 -0.179794
C 3.966728 3.498022 0.725118
Ge 3.009775 -0.969813 -1.099007
C 4.679877 -0.380279 -0.186921
C 5.245063 -1.362502 0.862624
C -2.180123 2.582908 -1.981904
C -0.893897 2.292924 -2.780960
C -3.995594 -0.122264 -2.355063
C -5.233498 0.592689 -2.945196
C -1.430764 -3.067386 0.294100
C -2.343903 -3.404473 -0.903924
C 2.487948 -2.854478 -0.728442
C 2.182289 -3.131556 0.760945
C 3.108822 -0.570899 -3.043216
C 4.175609 -1.438267 -3.750984
C 0.069694 2.397020 1.227570
C 0.290996 3.809176 1.815536
C 2.657866 0.698467 2.452370
C 2.110539 1.263703 3.781707
H -4.454197 -1.338116 0.657909
H -4.126455 -0.498097 2.184235
H -1.491725 -3.856157 1.062572
H -0.372800 -3.047420 -0.023614
H -1.178257 -0.036029 3.222825
H 0.209457 -0.519146 2.240557
H -4.791036 2.541966 -0.073406
H -4.935202 0.949535 0.676322
H -2.953415 2.971983 -2.667011
H -1.992387 3.379424 -1.243102
H -3.300026 -0.414215 -3.161561
H -4.292254 -1.053449 -1.844077
H 5.414705 -0.238045 -0.998415
H 4.532265 0.610962 0.264588
H 2.118218 -0.731378 -3.501646
H 3.343871 0.501250 -3.158912
H 3.278518 -3.533505 -1.088985
H 1.597575 -3.066410 -1.349851
H 3.499460 2.184669 -0.961594
H 2.306501 3.464470 -0.701074
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63
39-H+
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N 0.912491 -0.734205 -0.910428
C 1.079335 -2.190795 -1.145938
C 1.709789 -2.466540 -2.523703
N 0.929539 1.232652 0.057062
Ge -0.597253 0.483219 -0.864520
N -2.051103 -0.029425 0.052955
Si -1.894678 -0.872872 1.655777
C -0.247745 -0.429446 2.494889
C 1.404757 2.607175 0.329197
C 1.930761 3.267027 -0.958387
C 0.241793 3.393100 0.951385
Si -3.700464 0.234692 -0.682195
C -4.725193 -1.343785 -0.455718
C 1.827347 -2.908855 -0.009209
C -4.503967 1.732411 0.151698
C -3.524399 0.572034 -2.544824
C -3.295304 -0.296074 2.794662
C -1.953636 -2.744631 1.362855
H 3.750955 -0.360050 -1.971358
H 6.163894 -0.569596 -1.365090
H 6.881373 -0.288343 1.010249
H 5.192209 0.218320 2.778373
H 2.776557 0.432901 2.169816
H 2.225478 2.526999 1.057469
H 2.300312 4.280358 -0.738942
H 2.756797 2.679031 -1.387002
H 1.124766 3.347818 -1.706206
H 0.563753 4.418116 1.185695
H -0.600936 3.458339 0.240718
H -0.113991 2.913696 1.875798
H 0.043827 -2.567378 -1.165327
H 1.764139 -3.993888 -0.181331
H 2.888223 -2.626409 0.016398
H 1.374197 -2.685864 0.967920
H 1.625627 -3.539494 -2.754969
H 1.197814 -1.897448 -3.314911
H 2.776385 -2.199799 -2.523352
H -3.207917 -0.819272 3.762785
H -4.302034 -0.500841 2.400806
H -3.224899 0.785728 2.995026
H -2.901285 -3.060285 0.899883
H -1.848684 -3.288895 2.317417
H -1.132184 -3.073696 0.704368
H -0.113823 0.657306 2.611278
H 0.631096 -0.828453 1.967607
H -0.255213 -0.877021 3.504188
H -5.478863 1.956314 -0.314967
H -3.871467 2.630586 0.042783
H -4.676382 1.572095 1.226930
H -3.071883 1.550644 -2.773825
H -4.536174 0.574533 -2.986119
H -2.945357 -0.205986 -3.071599
H -4.853645 -1.638472 0.596814
H -4.273692 -2.195183 -0.991644
H -5.732716 -1.183871 -0.877363
H -0.839365 1.163668 -2.208388
77
40-H+
C 3.355681 -0.996185 0.261167
C 2.503803 0.118659 0.085842
C 2.981193 1.452014 0.026888
C 4.364753 1.649572 0.174457
C 5.233207 0.566146 0.366450
C 4.731118 -0.740488 0.406248
N 1.103231 -0.118239 -0.115780
C 0.018022 0.048276 0.679088
C -0.001506 0.319521 2.178883
C -0.843389 -0.798329 2.856578
C 2.058991 2.646347 -0.214056
C 2.247324 3.194430 -1.648923
C 2.838690 -2.432643 0.286594
C 3.215689 -3.155200 1.601227
Ge 0.013620 -0.255173 -1.676232
Cl 0.019675 -2.147533 -2.640446
N -1.078914 -0.092534 -0.116517
C -2.483046 0.075399 0.132974
C -3.042614 1.370843 -0.029272
C -4.424415 1.513207 0.181350
C -5.220871 0.409415 0.515232
C -4.650094 -0.864253 0.622411
C -3.272030 -1.065602 0.422567
C -2.203999 2.556283 -0.503860
C -2.523954 3.877342 0.227872
C -2.695775 -2.479614 0.449753
C -3.110954 -3.228431 -0.841222
C -2.383138 2.733109 -2.032214
C -3.132819 -3.287607 1.692547
C 2.261721 3.768419 0.828791
C 3.370457 -3.220331 -0.934498
C 1.403994 0.321684 2.824667
C -0.670323 1.698616 2.433711
H -4.882456 2.496687 0.073646
H -6.292166 0.541099 0.675898
H -5.282119 -1.722062 0.854416
H -1.597106 -2.409792 0.463052
H -2.654736 -4.230885 -0.860947
H -4.205656 -3.344975 -0.877295
H -2.796599 -2.683323 -1.744375
H -2.637510 -4.271072 1.684213
H -2.872673 -2.772716 2.629058
H -4.219516 -3.463572 1.688613
H -1.143500 2.331961 -0.313310
H -1.720195 3.529107 -2.408805
H -2.161340 1.801656 -2.580174
H -3.423976 3.008834 -2.262646
H -1.820431 4.659585 -0.097989
H -3.540421 4.227777 -0.007522
H -2.441819 3.764057 1.319021
H 4.763777 2.664004 0.138410
H 6.304101 0.741816 0.481215
H 5.412610 -1.580090 0.550520
H 1.739375 -2.412898 0.220781
H 2.806348 -4.177636 1.595208
H 4.308897 -3.228327 1.710278
H 2.820866 -2.627133 2.483760
H 2.962816 -4.243604 -0.930254
H 3.086384 -2.734277 -1.880941
H 4.469290 -3.287576 -0.901498
H 1.013285 2.313596 -0.124865
H 1.548696 4.026095 -1.835523
H 3.274113 3.567806 -1.786135
H 2.072737 2.411675 -2.405807
H 1.531473 4.575211 0.657287
H 2.132523 3.390886 1.855009
H 3.268898 4.204820 0.750147
H 1.259833 0.435699 3.909244
H 1.941664 -0.618385 2.645754
H 2.027229 1.151927 2.471690
H -0.629170 1.892574 3.516147
H -0.130745 2.505986 1.918250
H -1.719816 1.704366 2.119134
H -0.809812 -0.628370 3.943173
H -1.889245 -0.771958 2.534215
H -0.424383 -1.794491 2.648788
H 0.055655 0.901312 -2.673281
85
41-H+
C 2.772977 1.632987 -0.327021
C 2.469523 0.250937 -0.204328
C 3.486584 -0.740523 -0.200658
C 4.825309 -0.312414 -0.211356
C 5.148196 1.049012 -0.252794
C 4.129341 2.006026 -0.329214
N 1.105826 -0.215059 -0.225451
C -0.008870 0.167698 0.512068
N -0.072811 0.582880 1.784138
C -1.274196 1.433153 2.200499
C -1.220703 2.800889 1.501948
C 3.155542 -2.229361 -0.293822
C 4.034763 -3.120111 0.609873
C 1.705501 2.698874 -0.554138
C 1.660127 3.078299 -2.055643
Ge 0.033633 -0.550287 -1.753361
Cl -0.400636 -2.574641 -2.269363
N -1.082891 0.048978 -0.353347
C -2.466434 -0.210616 -0.083915
C -2.860248 -1.313713 0.716123
C -4.237089 -1.473209 0.962126
C -5.182500 -0.605963 0.403289
C -4.769707 0.437231 -0.437340
C -3.407907 0.656939 -0.699052
C -1.878316 -2.326852 1.300127
C -2.227670 -3.766166 0.852783
C -2.960231 1.730822 -1.688849
C -3.786351 3.031442 -1.615662
C -2.995882 1.142264 -3.121863
C -1.838299 -2.240853 2.842960
C 0.962260 0.244392 2.831217
C 1.610875 -1.136372 2.651529
C 1.990428 1.367949 3.034667
C 3.280465 -2.672512 -1.772775
C 1.908146 3.967060 0.303640
C -1.424957 1.613387 3.718925
H -5.514984 1.089658 -0.892548
H -6.244410 -0.753193 0.607396
H -4.568330 -2.302955 1.588168
H -0.869128 -2.112645 0.918892
H -1.467261 -4.467647 1.231268
H -3.204726 -4.077158 1.253403
H -2.263187 -3.842643 -0.243738
H -1.117109 -2.968333 3.247939
H -1.547105 -1.235885 3.179903
H -2.828718 -2.471350 3.265548
H -1.914766 1.993166 -1.464348
H -2.594581 1.865408 -3.850032
H -2.410812 0.207793 -3.196616
H -4.030765 0.895433 -3.406608
H -3.345536 3.788439 -2.282707
H -4.825079 2.867732 -1.942209
H -3.805098 3.434310 -0.591107
H 4.388325 3.062002 -0.413139
H 6.193174 1.363578 -0.253421
H 5.622216 -1.056202 -0.197032
H 2.109922 -2.371004 0.016245
H 3.681399 -4.161409 0.554851
H 5.086996 -3.110157 0.285912
H 3.994096 -2.792298 1.660030
H 2.976476 -3.724893 -1.887464
H 2.648296 -2.058869 -2.437419
H 4.322151 -2.566121 -2.114619
H 0.725860 2.286342 -0.289266
H 0.851415 3.803801 -2.242268
H 2.613718 3.535004 -2.363594
H 1.493614 2.194599 -2.692837
H 1.055531 4.649126 0.162473
H 1.990536 3.720662 1.372115
H 2.818330 4.509514 0.005895
H 0.365428 0.169797 3.743952
H -2.165016 0.898176 1.857750
H 2.577021 1.146346 3.939930
H 2.678748 1.444011 2.184847
H 1.491254 2.337023 3.179008
H 2.011016 -1.439136 3.631012
H 0.876155 -1.888952 2.335241
H 2.442533 -1.114164 1.945239
H -0.327709 3.366334 1.802779
H -1.223900 2.692416 0.410228
H -2.114508 3.378113 1.783449
H -2.321463 2.231729 3.872360
H -1.589655 0.663061 4.246685
H -0.571310 2.139946 4.169712
H 0.330565 0.277809 -3.001991
99
42-H+
C -2.188390 2.595058 0.105030
C -1.282166 1.808561 -0.868821
C -0.980842 2.668293 -2.114204
C -2.309993 2.996616 -2.834040
C -3.295340 3.721014 -1.893572
C -3.525851 2.911639 -0.601264
N -0.033740 1.211744 -0.259855
C 1.180678 2.047810 0.075043
C 0.825515 3.318155 0.875775
C 2.127289 3.955981 1.414252
C 3.103313 4.288177 0.267964
C 3.393411 3.039238 -0.587746
C 2.085164 2.411454 -1.121660
C -0.010016 -0.099695 0.008620
N 1.102621 -0.898278 0.204083
C 2.437567 -0.775728 -0.313429
C 2.689324 -0.964273 -1.695072
C 4.021094 -0.833090 -2.134007
C 5.058528 -0.558581 -1.236943
C 4.788107 -0.421598 0.132299
C 3.476431 -0.527805 0.621462
C 1.606334 -1.323234 -2.711769
C 1.432297 -0.227938 -3.789406
C 3.175677 -0.435721 2.116920
C 3.236389 -1.849765 2.746011
N -1.107272 -0.934706 0.185074
Ge 0.019775 -2.383044 0.654040
Cl 0.106814 -4.059192 -0.662247
C -2.400239 -0.608324 0.732278
C -2.522458 -0.232453 2.094951
C -3.816395 0.015513 2.589185
C -4.943143 -0.115993 1.769498
C -4.797206 -0.511698 0.433568
C -3.528003 -0.769998 -0.111972
C -1.332505 -0.095556 3.046625
C -1.273938 1.302803 3.705718
C -3.382290 -1.274421 -1.546848
C -3.547071 -2.814333 -1.567714
C -4.367398 -0.618355 -2.537973
C -1.380408 -1.189645 4.140863
C 1.932232 -2.673499 -3.395579
C 4.102257 0.531783 2.881977
H 5.606173 -0.224596 0.825009
H 6.083005 -0.463591 -1.600912
H 4.240555 -0.961266 -3.194853
H 0.644647 -1.434597 -2.188748
H 1.094560 -2.977560 -4.042702
H 2.831362 -2.578137 -4.024162
H 2.114078 -3.466606 -2.656896
H 0.640210 -0.521844 -4.496324
H 1.163803 0.740358 -3.345459
H 2.364840 -0.094828 -4.359973
H 2.142776 -0.068834 2.235581
H 2.947784 -1.813123 3.808946
H 2.565078 -2.555705 2.227525
H 4.258124 -2.254765 2.675032
H 3.746657 0.642512 3.918028
H 5.134449 0.150853 2.925972
H 4.121697 1.526224 2.409555
H -3.937196 0.312669 3.631894
H -5.937277 0.081621 2.173982
H -5.681170 -0.622667 -0.194453
H -2.360477 -1.048027 -1.890335
H -4.129308 -0.945763 -3.561846
H -5.406935 -0.916667 -2.330413
H -4.310480 0.480356 -2.500132
H -3.402259 -3.200119 -2.589474
H -2.817616 -3.306803 -0.905906
H -4.558533 -3.091353 -1.229994
H -0.391916 -0.220654 2.487777
H -0.492067 -1.120575 4.789328
H -2.275595 -1.061982 4.769085
H -1.421961 -2.201286 3.706302
H -0.360875 1.392969 4.315317
H -1.275383 2.101808 2.950732
H -2.139101 1.459694 4.367914
H 1.770534 1.420456 0.751638
H 0.319508 4.042942 0.220065
H 0.145470 3.074752 1.703535
H 1.876151 4.863113 1.985724
H 2.607245 3.252036 2.117302
H 2.654336 5.069493 -0.370858
H 4.039936 4.700331 0.675231
H 4.047833 3.291959 -1.436361
H 3.924713 2.285452 0.017029
H 1.578196 3.136851 -1.772719
H 2.313732 1.520118 -1.713693
H -1.854872 0.945499 -1.227912
H -0.495408 3.609076 -1.811432
H -0.299630 2.136741 -2.792591
H -2.098361 3.611862 -3.722382
H -2.764149 2.055635 -3.191777
H -2.880713 4.710828 -1.632076
H -4.251711 3.896866 -2.410842
H -4.179681 3.464894 0.090734
H -4.035978 1.963639 -0.837540
H -1.707001 3.540408 0.387593
H -2.370064 2.017430 1.016970
H -0.049372 -2.878110 2.096635
82
43-H+
C -3.757760 0.439006 1.389692
C -3.477572 -0.071766 0.105816
C -4.513316 -0.600623 -0.689761
C -5.827037 -0.613463 -0.201383
C -6.106127 -0.113729 1.082397
C -5.071287 0.408005 1.877737
C -2.089083 -0.033449 -0.405738
N -1.378885 -1.124704 -0.753977
Si -1.724621 -2.892843 -0.538519
C -3.040115 -3.474530 -1.771262
Ge 0.153332 0.027176 -1.178019
Si 2.155570 -0.063264 0.127186
Si 1.530363 -0.750829 2.301277
C 1.535283 -2.651050 2.468333
N -1.377060 1.101021 -0.560934
Si -1.986676 2.813888 -0.644067
C -2.187586 3.519378 1.103458
C -0.067063 -3.704402 -0.940097
C -2.277924 -3.175983 1.249026
C -0.667233 3.746158 -1.627448
C -3.635982 2.817815 -1.572632
Si 3.845761 -1.339692 -0.939749
C 4.559595 -0.326671 -2.388639
Si 2.879347 2.194350 0.169271
C 1.723225 3.189226 1.316431
C 5.172198 -1.573445 0.415408
C 3.296239 -3.049193 -1.575554
C 4.648383 2.225976 0.882388
C 2.902482 2.926406 -1.594734
C 2.810052 -0.021697 3.514380
C -0.210193 -0.062781 2.689972
H -4.291724 -0.966500 -1.692083
H -6.632436 -1.007504 -0.823220
H -7.129140 -0.129463 1.461784
H -5.287382 0.789518 2.876987
H -2.946083 0.831461 2.001774
H -2.972663 -4.570532 -1.885363
H -4.060698 -3.238366 -1.433850
H -2.892365 -3.030578 -2.770060
H -0.105828 -4.788617 -0.740916
H 0.191166 -3.578583 -2.005037
H 0.758228 -3.289113 -0.343240
H -2.475428 -4.248446 1.419614
H -1.511700 -2.857378 1.973514
H -3.206565 -2.626703 1.472196
H -3.940869 3.859327 -1.774875
H -3.554492 2.301973 -2.544022
H -4.441410 2.337750 -0.996760
H -2.225437 4.621627 1.059469
H -3.125854 3.173307 1.565000
H -1.356939 3.244967 1.772895
H -1.022132 4.769406 -1.838947
H 0.286979 3.836654 -1.088185
H -0.469417 3.263678 -2.599803
H 4.164161 -3.545063 -2.045341
H 2.938737 -3.704019 -0.765280
H 2.500361 -2.984106 -2.334555
H 6.057329 -2.076411 -0.012244
H 5.505590 -0.613098 0.840302
H 4.801629 -2.201810 1.242911
H 5.364278 -0.897722 -2.883972
H 3.797203 -0.094469 -3.151145
H 4.990375 0.626156 -2.042403
H 3.080153 4.015510 -1.554056
H 3.712985 2.478896 -2.191728
H 1.960762 2.768193 -2.143259
H 4.983828 3.272755 0.988882
H 4.703526 1.755126 1.877177
H 5.366800 1.713446 0.222104
H 2.009546 4.255395 1.330660
H 0.672256 3.129310 0.998173
H 1.779596 2.814681 2.351932
H 2.550804 -0.301753 4.550431
H 3.824221 -0.404072 3.310949
H 2.847508 1.078473 3.464279
H 1.318525 -2.935594 3.513141
H 0.780826 -3.135650 1.829741
H 2.519934 -3.074812 2.208694
H -0.485916 -0.284936 3.735751
H -0.253381 1.029906 2.552977
H -0.972417 -0.518317 2.039028
H 0.166445 0.174606 -2.721359
82
44-H+
C -3.910537 0.481645 1.346245
C -3.619464 -0.079694 0.086018
C -4.640279 -0.683231 -0.675550
C -5.950004 -0.718195 -0.178059
C -6.239262 -0.167173 1.082479
C -5.219156 0.427857 1.844790
C -2.236901 -0.026037 -0.435537
N -1.521288 -1.109425 -0.798028
Si -1.794827 -2.881192 -0.535779
C -3.037525 -3.566002 -1.789129
Ge 0.002194 0.055121 -1.220521
Ge 2.030550 -0.069047 0.122135
Si 1.350122 -0.774026 2.322787
C 1.332481 -2.670513 2.505980
N -1.532170 1.113280 -0.588350
Si -2.125033 2.827813 -0.678019
C -2.287846 3.556223 1.064530
C -0.075575 -3.600954 -0.854223
C -2.397408 -3.142328 1.239826
C -0.794126 3.722232 -1.682175
C -3.785551 2.841854 -1.585188
Si 3.762553 -1.337729 -0.993175
C 4.608916 -0.205990 -2.271613
Si 2.795858 2.221289 0.224881
C 1.638761 3.236977 1.348959
C 4.979793 -1.770838 0.412602
C 3.173050 -2.928146 -1.855056
C 4.539421 2.147053 0.992481
C 2.904711 2.972947 -1.524929
C 2.635311 -0.048037 3.529625
C -0.379166 -0.046585 2.679853
H -4.409463 -1.090663 -1.659683
H -6.744623 -1.170080 -0.773855
H -7.258872 -0.200763 1.469786
H -5.443216 0.847987 2.826665
H -3.109230 0.929126 1.933576
H -2.945423 -4.665307 -1.833696
H -4.077357 -3.332433 -1.512777
H -2.852094 -3.178932 -2.805207
H -0.005322 -4.642726 -0.499276
H 0.162360 -3.604298 -1.930830
H 0.706863 -3.020746 -0.340805
H -2.549281 -4.218533 1.432657
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H -3.359055 -2.634235 1.414857
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151
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167
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H 3.285578 -1.853025 4.303312
H 1.899002 -2.023135 3.191480
H 2.806306 -3.471332 3.714164
H 5.649717 -1.944266 3.437284
H 5.361714 -3.649541 3.022981
H 5.995720 -2.534314 1.785455
H 5.027693 4.405175 1.946129
H 4.005789 6.208385 0.592183
H 2.205675 5.669267 -1.039096
H 0.804851 2.229335 -1.574099
H 0.802441 3.305444 -3.813317
H 1.915361 4.571760 -3.227213
H 2.470004 2.881213 -3.339983
H -0.924508 3.928275 -2.096385
H -0.517832 4.035869 -0.367035
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H 4.512321 0.799259 1.433066
H 4.012866 0.707849 3.866109
H 3.488283 2.417590 3.831248
H 2.561357 1.177177 2.943172
H 6.337497 1.172427 2.931170
H 6.542256 2.359752 1.608694
H 5.912017 2.875840 3.194906
H 3.806321 1.969873 -1.889923
H 4.942482 -1.532650 0.008112
H -4.857944 1.638994 0.292504
H -3.721092 -2.022677 1.874184
H -4.145809 5.085257 -1.394806
H -3.358523 6.224058 0.671521
H -2.158256 4.931297 2.423305
H -2.199844 -5.688860 0.857698
H -3.600990 -6.185603 -1.142929
H -4.517468 -4.317349 -2.501057
H -1.391383 1.254240 2.164304
H -1.288409 1.928389 4.550131
H -1.958428 3.530611 4.161504
H -2.961554 2.071067 3.953152
H 0.691046 2.332647 3.043072
H 0.457876 2.790691 1.328035
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H -4.009571 1.361299 -1.844663
H -5.741401 2.271666 -3.285827
H -6.056789 2.832378 -1.617405
H -5.358128 3.944878 -2.823829
H -3.363265 2.061095 -4.145979
H -2.835799 3.650063 -3.518917
H -1.980701 2.162390 -3.020637
H -1.355647 -2.215993 2.012048
H -1.485304 -3.661669 4.004061
H -3.105901 -3.593894 3.252600
H -2.080707 -5.031587 3.033628
H 0.597282 -3.717713 2.565136
H -0.037688 -4.941820 1.437836
H 0.514313 -3.375634 0.816610
H -4.109853 -0.696476 -1.673740
H -6.146635 -0.983818 -2.940563
H -5.868316 -2.725335 -3.160382
H -6.265336 -2.098422 -1.543206
H -3.904938 -0.746451 -4.162993
H -2.391100 -1.305679 -3.399843
H -3.525461 -2.492036 -4.098305
H 6.298638 -2.641812 -1.683769
H 4.662835 -2.333145 -2.316524
H 6.044829 -1.315409 -2.840231
H 7.229056 -1.186509 0.222955
H 7.320346 0.062822 -1.032819
H 6.500351 0.412959 0.513399
H 5.725683 2.441626 -3.204568
H 6.260818 2.065819 -1.545844
H 6.484437 0.871975 -2.864507
H 3.728628 1.259781 -4.241752
H 4.338102 -0.359331 -3.821925
H 2.734811 0.167274 -3.239938
H -5.646979 -2.614439 3.134276
H -6.438722 -1.048595 2.860070
H -6.148638 -2.159490 1.484529
H -3.641424 -1.519650 4.245794
H -2.689078 -0.307243 3.348115
H -4.299413 0.117192 3.991252
H -7.167119 1.290967 0.015783
H -6.336676 -0.166878 -0.581078
H -7.196529 -0.197026 0.984053
H -6.271560 2.523783 2.039875
H -6.062234 1.074234 3.047422
H -4.662508 2.138411 2.695585
H 0.970576 0.061611 2.172085
83
49-H+
C -4.919408 -0.812998 1.003832
C -3.809921 -0.912678 0.140547
C -3.801114 -1.881741 -0.880534
C -4.894446 -2.746685 -1.034543
C -5.995880 -2.651894 -0.168231
C -6.007204 -1.684281 0.850374
C -2.658335 0.012189 0.332713
N -2.567469 1.262292 -0.149002
C -3.323063 1.946802 -1.223819
C -4.831155 2.032345 -0.901138
Ge -1.006306 1.715178 1.021078
N -1.556023 -0.237466 1.068897
C -1.314942 -1.268823 2.107142
C -1.624720 -2.693812 1.597758
Ge 0.731821 1.258843 -0.820852
N 1.583498 -0.501842 -0.970557
C 1.315867 -1.695987 -1.815698
C -0.183043 -1.611020 -2.170086
N 2.600114 1.278808 -0.206726
C 3.311819 2.143898 0.776313
C 4.829349 2.194758 0.499595
C 2.737199 -0.039824 -0.448012
C 3.949332 -0.852724 -0.179370
C 3.985946 -1.719560 0.930446
C 5.138436 -2.476713 1.184846
C 6.246930 -2.381258 0.326945
C 6.207199 -1.521871 -0.783989
C 5.063574 -0.750900 -1.035413
C 2.713438 3.554120 0.600457
C 3.036255 1.626714 2.205124
C 2.172890 -1.632582 -3.097940
C 1.587298 -3.005748 -1.045292
C 0.188802 -1.163592 2.440443
C -2.153705 -0.958713 3.366745
C -2.735623 3.369886 -1.311833
C -3.094814 1.207384 -2.561002
H 3.116023 -1.798016 1.583798
H 5.169468 -3.142387 2.048930
H 7.140715 -2.975460 0.523958
H 5.030629 -0.068179 -1.885589
H -4.930063 -0.048702 1.782442
H -6.863487 -1.604507 1.522124
H -6.844059 -3.328009 -0.287629
H -4.884693 -3.495275 -1.828635
H -2.941788 -1.959459 -1.546587
H -5.327255 2.653003 -1.663488
H -5.300213 1.040027 -0.904045
H -4.986957 2.498637 0.084028
H -3.583340 1.757076 -3.380285
H -2.016775 1.139279 -2.780102
H -3.517210 0.193544 -2.521476
H -3.241432 3.936739 -2.106728
H -2.873236 3.907343 -0.359749
H -1.658809 3.332690 -1.551600
H -1.265079 -3.419330 2.343734
H -2.701174 -2.851196 1.456837
H -1.110920 -2.890189 0.644787
H -1.908296 -1.672829 4.168528
H -1.940831 0.059847 3.730052
H -3.227314 -1.042983 3.143644
H 0.457380 -1.902675 3.210042
H 0.791948 -1.343892 1.537347
H 0.430614 -0.161252 2.833607
H -0.483771 -2.494954 -2.751242
H -0.782458 -1.563784 -1.248434
H -0.391640 -0.715255 -2.779438
H 1.911296 -2.470989 -3.761988
H 1.991637 -0.688721 -3.636220
H 3.242132 -1.705877 -2.851498
H 1.251208 -3.855637 -1.659161
H 2.656582 -3.133847 -0.835586
H 1.032040 -3.019272 -0.095592
H 3.506532 2.294379 2.943342
H 1.952013 1.599940 2.402641
H 3.448374 0.615038 2.336475
H 3.194109 4.253081 1.299950
H 2.873560 3.918386 -0.426393
H 1.631056 3.551457 0.818800
H 5.277379 2.968413 1.141883
H 5.316482 1.237709 0.723483
H 5.021400 2.459760 -0.551225
H 7.067603 -1.447109 -1.450780
H 0.811541 1.854083 -2.260767
102
50-H+
C -5.878621 1.593126 1.675548
C -5.371108 0.617938 0.795989
C -6.239146 -0.333825 0.227065
C -7.607056 -0.306364 0.533185
C -8.110700 0.661945 1.418049
C -7.245418 1.609429 1.990205
C -3.917552 0.578492 0.473467
N -3.287533 1.402149 -0.371895
C -3.823950 2.172762 -1.517853
C -4.495360 1.210774 -2.525176
Ge -1.487663 0.555768 -0.002888
N -3.032916 -0.303948 0.983904
C -3.088657 -0.993331 2.295323
C -3.026808 0.047786 3.435439
C -1.506830 -0.714866 -1.560534
C -0.763893 -0.583370 -2.796377
C -0.856501 -1.814799 -3.531349
C -1.647164 -2.728706 -2.756568
C -2.049912 -2.051422 -1.557303
Fe 0.000927 -2.113092 -1.698556
C 0.727873 -2.958967 0.002170
C 1.413160 -1.713348 -0.294421
C 2.013300 -1.851890 -1.606145
C 1.721236 -3.168879 -2.091268
C 0.932187 -3.848464 -1.103700
Ge 1.749049 -0.253804 0.890698
H 0.934783 0.047256 2.147973
N 2.761105 1.178706 0.055861
C 2.358959 2.507758 -0.504852
C 1.517470 2.207985 -1.762653
C 3.920310 0.723538 0.591038
N 3.648458 -0.322942 1.391949
C 4.518973 -1.478042 1.778541
C 5.034215 -2.194093 0.510700
C 5.274208 1.248205 0.297148
C 5.997555 1.937554 1.289224
C 7.273464 2.438357 0.996319
C 7.834262 2.237470 -0.276548
C 7.115283 1.541374 -1.262747
C 5.831255 1.054326 -0.981605
C 3.545884 3.410228 -0.888924
C 1.507080 3.223952 0.566641
C 5.695965 -1.029712 2.669451
C 3.608507 -2.428374 2.584518
C -4.344269 -1.882494 2.448908
C -1.839898 -1.896917 2.348886
C -2.601833 2.841874 -2.181855
C -4.816371 3.265817 -1.063878
H -5.836336 -1.092128 -0.446267
H -8.277973 -1.042068 0.086093
H -9.174810 0.679049 1.660112
H -7.634632 2.363253 2.676896
H -5.202810 2.335188 2.103807
H -1.790059 -2.416076 3.317747
H -1.876370 -2.645060 1.542939
H -0.923264 -1.294917 2.229500
H -4.228000 -2.510489 3.346431
H -5.256680 -1.285135 2.564190
H -4.460490 -2.540589 1.573858
H -2.989832 -0.456876 4.414317
H -2.128652 0.678082 3.328648
H -3.917479 0.693184 3.410788
H -2.927113 3.445768 -3.041991
H -2.083864 3.498505 -1.464264
H -1.895706 2.077614 -2.544961
H -5.078741 3.895187 -1.929044
H -5.739648 2.829886 -0.661894
H -4.357971 3.904169 -0.292307
H -4.811451 1.767845 -3.421499
H -3.788308 0.422290 -2.824984
H -5.384336 0.743715 -2.076846
H 5.558202 2.081210 2.277182
H 7.830712 2.981176 1.761346
H 8.830654 2.622652 -0.499250
H 7.551217 1.382110 -2.250217
H 5.259488 0.521646 -1.743532
H 6.188048 -1.926755 3.075717
H 6.441406 -0.458183 2.103008
H 5.335179 -0.419249 3.511567
H 5.621843 -3.078683 0.801327
H 4.192069 -2.521641 -0.116998
H 5.683518 -1.525537 -0.073666
H 4.192217 -3.296921 2.922163
H 3.199740 -1.917329 3.470912
H 2.779207 -2.801688 1.961546
H 3.126534 4.342483 -1.295705
H 4.168649 3.663503 -0.020276
H 4.181511 2.951879 -1.657634
H 1.094823 3.142854 -2.160231
H 2.141193 1.739852 -2.540386
H 0.690159 1.527072 -1.517893
H 1.151701 4.187084 0.168545
H 0.627921 2.619975 0.838608
H 2.111971 3.419656 1.466340
H 2.575506 -1.079946 -2.125790
H 1.999321 -3.562804 -3.066026
H 0.513615 -4.847351 -1.199707
H 0.165849 -3.173648 0.906279
H -0.195889 0.289865 -3.110232
H -0.372034 -2.033921 -4.480505
H -1.860569 -3.764129 -3.014145
H -2.626825 -2.480067 -0.742140
68
51-H+
C 3.043240 0.698595 0.024874
C 2.066300 -0.275851 -0.297497
C 2.319120 -1.664756 -0.111897
C 3.544394 -2.051553 0.456640
C 4.493764 -1.092651 0.835119
C 4.248563 0.265548 0.609994
Ge 0.271691 0.180590 -0.948633
C -1.441576 -0.057047 0.113359
Si -2.842906 -0.876650 -0.977061
C -4.442509 -1.054400 0.030403
C 1.319670 -2.717358 -0.596910
C 1.383025 -4.056706 0.164064
C 2.825284 2.189476 -0.228433
C 4.073328 2.901763 -0.797078
C -1.578958 1.430176 0.107274
N -0.500396 1.989267 -0.532879
C -0.392594 3.320069 -0.759211
C -1.386199 4.185700 -0.312545
C -2.502282 3.648046 0.363652
C -2.608927 2.269677 0.573275
Si -1.319248 -0.783208 1.922983
C -1.568418 -2.664312 1.902908
C 0.365983 -0.345358 2.679686
C -2.678027 0.017703 2.987234
C -3.157542 0.280482 -2.453400
C -2.215462 -2.560315 -1.588953
C 1.503116 -2.958910 -2.116283
C 2.336295 2.894929 1.057065
H 0.494075 3.660565 -1.291114
H -1.293923 5.256077 -0.491411
H -3.292299 4.312367 0.717628
H -3.469342 1.836336 1.077744
H -2.987218 -3.034335 -2.219455
H -1.309044 -2.458626 -2.208738
H -1.988792 -3.251904 -0.763170
H -5.226585 -1.503140 -0.603855
H -4.322855 -1.698445 0.915340
H -4.824992 -0.078355 0.373325
H -3.914334 -0.160800 -3.123985
H -3.539235 1.263284 -2.130270
H -2.249308 0.452622 -3.055155
H -1.467942 -3.043349 2.934782
H -2.568187 -2.955162 1.543700
H -0.822395 -3.189367 1.289755
H -2.663650 -0.452472 3.985831
H -2.507314 1.096248 3.136903
H -3.689922 -0.120143 2.574981
H 0.353220 -0.582708 3.757678
H 1.198479 -0.899755 2.221404
H 0.592479 0.730013 2.585769
H 3.759864 -3.109109 0.607263
H 5.434367 -1.408543 1.289668
H 5.005341 1.001706 0.882332
H 0.295712 -2.322262 -0.439128
H 0.748093 -3.671544 -2.484486
H 1.414958 -2.024065 -2.692637
H 2.502492 -3.379395 -2.308476
H 0.533059 -4.690746 -0.131030
H 2.305092 -4.605456 -0.083209
H 1.351089 -3.906213 1.253778
H 2.045424 2.279449 -1.004080
H 3.812975 3.932858 -1.083699
H 4.875718 2.961420 -0.046162
H 4.463937 2.376775 -1.681799
H 2.141503 3.963298 0.867364
H 1.415965 2.433947 1.446172
H 3.109375 2.821415 1.838002
H 0.065421 0.084080 -2.474111
56
52-H+
C 2.125147 2.868603 -0.996493
C 1.307678 1.944614 -0.342087
C 1.695950 0.642077 -0.022336
C 3.034307 0.220976 -0.271144
C 3.864368 1.143873 -0.963464
C 3.414795 2.422695 -1.326181
Ge -0.000002 -0.000027 0.732178
C -1.695998 -0.642083 -0.022351
C -1.307717 -1.944661 -0.341974
C -2.125222 -2.868750 -0.996193
C -3.414879 -2.422876 -1.325883
C -3.864430 -1.144010 -0.963335
C -3.034364 -0.220998 -0.271121
N -0.069356 2.187370 0.110122
C -0.118877 3.216772 1.187754
N 0.069379 -2.187296 0.110055
C 0.959148 -2.563733 -1.026372
N -3.504320 1.036753 0.138882
C -3.266274 1.415766 1.539658
N 3.504192 -1.036827 0.138957
C 3.266390 -1.415537 1.539892
C -0.959246 2.564205 -1.026062
C 0.119372 -3.216797 1.187506
C -4.837366 1.450219 -0.313160
C 4.837174 -1.450419 -0.313153
H 1.152260 -3.294122 1.551109
H -0.544106 -2.907602 2.006486
H -0.208503 -4.195400 0.799907
H 1.985256 -2.664528 -0.657222
H 0.611950 -3.507511 -1.477189
H 0.926867 -1.761446 -1.775086
H -0.611792 3.507850 -1.476970
H -0.927510 1.761912 -1.774786
H -1.985207 2.665501 -0.656670
H 0.209405 4.195271 0.800248
H -1.151716 3.294482 1.551411
H 0.544516 2.907154 2.006640
H -3.419665 2.500786 1.646842
H -3.962564 0.894330 2.225808
H -2.240842 1.179326 1.845372
H -4.975022 2.510903 -0.058288
H -4.911322 1.338798 -1.403985
H -5.648726 0.866130 0.165088
H -4.895169 -0.879176 -1.191136
H -4.103335 -3.094506 -1.841523
H -1.788213 -3.877100 -1.236982
H 1.788151 3.876922 -1.237422
H 4.103208 3.094261 -1.841962
H 4.895102 0.878987 -1.191227
H 3.419476 -2.500582 1.647211
H 3.963050 -0.894197 2.225743
H 2.241126 -1.178646 1.845833
H 4.974757 -2.511107 -0.058248
H 4.911076 -1.339030 -1.403984
H 5.648620 -0.866398 0.165039
H -0.000079 -0.000006 2.283128
76
53-H+
C 3.012759 2.244266 0.497711
C 1.976821 1.402528 0.046861
N 0.833054 1.946778 -0.462620
C 0.679650 3.280907 -0.592709
C 1.675135 4.164131 -0.172658
C 2.850988 3.630159 0.391004
C 1.913414 -0.093663 0.009623
Si 3.145541 -0.731624 -1.384696
C 4.866516 0.035039 -1.128309
Ge 0.007037 -0.018929 -0.730687
C -1.915359 0.070717 -0.040075
Si -2.253334 0.435874 1.843888
C -1.408849 2.062015 2.356582
C -2.089611 -1.395833 -0.298577
N -0.905127 -1.964559 -0.670249
C -0.801286 -3.285202 -0.924884
C -1.904584 -4.131361 -0.808607
C -3.138743 -3.571938 -0.424348
C -3.240179 -2.199597 -0.170864
Si -3.019816 1.210591 -1.188509
C -2.278835 1.356409 -2.936293
C -4.761987 0.466807 -1.356170
C -3.150027 2.965264 -0.459533
Si 2.273746 -0.929524 1.725307
C 4.140259 -1.167130 2.022277
C 1.667264 0.222095 3.112527
C 1.465112 -2.650154 1.779031
C 3.240911 -2.629338 -1.330805
C 2.563259 -0.181522 -3.111898
C -4.127195 0.564344 2.164432
C -1.659976 -1.040621 2.884749
H -4.183967 -1.749508 0.127711
H -4.018684 -4.209343 -0.321438
H -1.802068 -5.197120 -1.010452
H 0.184792 -3.649738 -1.212395
H 1.766812 -0.283468 4.088502
H 2.287544 1.133460 3.151641
H 0.622000 0.538848 3.008760
H 4.272507 -1.652357 3.005419
H 4.626327 -1.808364 1.271244
H 4.690451 -0.212208 2.059029
H 1.548882 -3.064481 2.798377
H 0.400869 -2.649060 1.506243
H 1.984475 -3.343301 1.098302
H -1.867319 -0.840049 3.950156
H -2.211786 -1.955110 2.610229
H -0.588554 -1.256717 2.795174
H -4.287193 0.753123 3.240598
H -4.619734 1.377216 1.610867
H -4.652037 -0.375400 1.924490
H -1.277284 2.088731 3.451653
H -0.416215 2.190488 1.900064
H -2.023711 2.930436 2.075156
H -3.569950 3.638949 -1.226277
H -3.815642 3.008700 0.415908
H -2.178748 3.377503 -0.147676
H -5.380462 1.151257 -1.962407
H -4.745529 -0.504514 -1.876429
H -5.269989 0.332820 -0.388407
H -2.983618 1.919900 -3.572614
H -1.316161 1.893787 -2.951171
H -2.115952 0.374557 -3.410773
H 3.919548 1.809799 0.914541
H 3.640772 4.298094 0.739165
H 1.534639 5.239409 -0.278405
H -0.255970 3.621814 -1.035600
H 5.547131 -0.389122 -1.887167
H 5.307589 -0.162528 -0.141149
H 4.844992 1.125294 -1.288145
H 3.676873 -3.008459 -0.393901
H 3.873366 -2.987098 -2.161259
H 2.249324 -3.094522 -1.453364
H 2.258860 0.878476 -3.135359
H 1.721345 -0.779251 -3.494793
H 3.403089 -0.297334 -3.819128
H -0.000918 0.012232 -2.261120
67
54-H+
C -3.111831 -0.034397 1.327189
C -2.664718 -0.031729 -0.027179
C -3.042711 1.045804 -0.879154
C -3.701523 2.163566 -0.330836
C -4.032817 2.207419 1.028335
C -3.771827 1.097891 1.841560
Ge -1.453617 -1.536255 -0.693558
N -0.063524 -1.143515 1.006778
Ge 0.875282 0.338389 0.194029
N 0.015909 -0.057795 -1.490932
C -2.897490 0.978810 -2.404851
C -2.230766 2.231944 -3.023027
C -3.043975 -1.289673 2.208148
C -4.452704 -1.927827 2.297495
C 2.803590 0.121962 0.149401
C 3.647637 1.192668 0.578858
C 5.037715 0.997791 0.534170
C 5.585425 -0.212995 0.085914
C 4.750524 -1.251377 -0.335195
C 3.350284 -1.106366 -0.317431
C 3.066366 2.542743 1.018517
C 2.638070 3.360477 -0.226288
C 2.508168 -2.290848 -0.800165
C 2.671964 -3.512206 0.133687
C 4.008636 3.388858 1.900434
C 2.828373 -2.659202 -2.267508
C -4.289755 0.754117 -3.045798
C -2.489101 -1.033748 3.629697
H 5.705303 1.794971 0.858247
H 6.668881 -0.343632 0.066498
H 5.185621 -2.189269 -0.683556
H -0.431431 0.757994 -1.916838
H 0.645835 -0.464756 -2.190012
H 0.536082 -1.942904 1.235858
H -0.571448 -0.879571 1.855514
H -3.983815 2.994719 -0.979598
H -4.537668 3.082821 1.441440
H -4.109650 1.101217 2.879437
H -2.397514 -2.046435 1.724262
H -4.415835 -2.858436 2.886313
H -5.152590 -1.232510 2.786817
H -4.842433 -2.157407 1.293939
H -2.376587 -1.985433 4.171766
H -1.512524 -0.516386 3.627310
H -3.180131 -0.400923 4.206684
H -2.292805 0.093759 -2.677429
H -4.197262 0.660109 -4.139713
H -4.759859 -0.158622 -2.649045
H -4.950842 1.606133 -2.823318
H -2.061465 2.083738 -4.100873
H -2.881923 3.111325 -2.904859
H -1.266961 2.489750 -2.547024
H 1.439806 -2.026371 -0.783609
H 2.170289 -3.475786 -2.603563
H 2.688758 -1.792434 -2.935107
H 3.871051 -2.994968 -2.371571
H 2.026069 -4.338909 -0.201416
H 3.714014 -3.866157 0.130577
H 2.415249 -3.257829 1.176465
H 2.166282 2.348321 1.627991
H 3.463419 4.267394 2.276364
H 4.380661 2.812112 2.760912
H 4.872760 3.755840 1.324564
H 2.167406 4.307858 0.080625
H 3.519477 3.590476 -0.845584
H 1.922319 2.810953 -0.863342
H 0.198284 1.598021 0.723059
35
55-H+
C 2.756427 -0.037219 2.342260
C 1.899663 0.843446 1.423638
N 1.407220 0.113691 0.180415
C 2.609729 -0.377204 -0.632644
C 2.491821 -0.286193 -2.155813
Ge 0.000150 1.069984 -0.744121
Cl -0.000082 3.148772 -0.220866
N -1.407145 0.113505 0.180302
C -2.610043 -0.376224 -0.632719
C -2.491852 -0.285842 -2.155923
Ge -0.000225 -1.489547 0.877779
Cl 0.000072 -2.626453 -1.038286
C -1.898905 0.842957 1.424049
C -2.756633 -0.037443 2.342047
H 2.466041 1.726125 1.088424
H 1.022285 1.209289 1.974595
H 3.043370 0.556067 3.223264
H 2.201723 -0.920871 2.696193
H 3.676729 -0.376199 1.847559
H 2.790962 -1.418751 -0.330245
H 3.474359 0.220665 -0.310091
H 3.416519 -0.699634 -2.585973
H 1.648528 -0.869907 -2.548324
H 2.409107 0.759088 -2.495709
H -1.021104 1.207282 1.975356
H -2.464227 1.726499 1.089405
H -3.042494 0.555380 3.223718
H -3.677560 -0.374650 1.847307
H -2.203015 -0.922189 2.694910
H -2.792502 -1.417449 -0.329936
H -3.474057 0.222744 -0.310543
H -3.416804 -0.698695 -2.586103
H -2.408337 0.759301 -2.496041
H -1.648938 -0.870215 -2.548221
H 0.000234 0.864698 -2.245408
56
56-H+
C 1.179271 1.887152 2.249672
C 0.107625 2.517779 1.343963
C 0.627352 3.732132 0.555105
N -0.447922 1.504069 0.421557
C -1.764950 1.235707 0.241716
C -2.858764 2.116531 0.780040
Ge 0.134676 -0.009359 -0.621638
N -1.887925 0.098894 -0.436963
C -3.066914 -0.418977 -1.161314
C -3.581703 0.566305 -2.230713
N 0.527509 -1.662791 0.285351
C -0.227088 -2.663986 1.063779
C -1.181910 -3.433336 0.138319
C 1.857190 -1.423260 0.352714
C 2.852077 -2.386653 0.935881
N 2.116311 -0.227303 -0.172866
C 3.420153 0.179456 -0.734771
C 3.422384 1.695845 -0.971629
C -4.176616 -0.896140 -0.202347
C 3.708773 -0.593388 -2.037967
C -0.964089 -1.983955 2.233284
H -0.723880 2.846734 1.987511
H 1.536211 2.634844 2.973765
H 0.760852 1.031889 2.803277
H 2.033433 1.533310 1.656739
H 1.027194 4.489717 1.246820
H 1.428990 3.430726 -0.134124
H -0.182854 4.189537 -0.033941
H -3.817965 1.900501 0.301606
H -2.965871 1.945374 1.864226
H -2.605441 3.175932 0.630430
H -2.684696 -1.305583 -1.691468
H -4.958208 -1.413266 -0.779481
H -3.772855 -1.595916 0.544400
H -4.649126 -0.056429 0.328022
H -4.364620 0.079264 -2.831724
H -4.016237 1.470199 -1.778290
H -2.764703 0.870269 -2.903102
H 2.729041 -3.382800 0.484560
H 3.880477 -2.042843 0.775919
H 2.678824 -2.487490 2.019518
H 4.200039 -0.058803 0.008629
H 4.374175 1.997969 -1.432424
H 2.606860 1.978739 -1.657880
H 3.302455 2.248553 -0.029211
H 4.694742 -0.309928 -2.436986
H 3.702866 -1.680677 -1.862023
H 2.945663 -0.357673 -2.796778
H 0.512276 -3.372129 1.470627
H -1.498182 -2.736519 2.833572
H -0.253701 -1.454228 2.887543
H -1.696987 -1.260693 1.844623
H -1.712911 -4.210138 0.709186
H -1.930014 -2.751037 -0.289905
H -0.629036 -3.913909 -0.682765
H 0.231005 0.088649 -2.152389
66
57-H+
C 2.947927 0.043221 -0.051872
P 1.797899 1.339635 -0.018590
C 2.166900 2.827398 -1.066394
P 2.075207 -1.374824 -0.620635
C 2.779923 -2.107783 -2.177886
Si 4.720855 0.119405 0.572170
C 5.800115 -1.096693 -0.420447
C 2.190742 -2.809562 0.563504
C 5.377855 1.900270 0.388043
C 4.781340 -0.366767 2.416401
Ge -0.014376 0.029384 -0.875040
P -1.743405 -1.283517 0.126562
C -2.915693 -0.006306 0.135729
Si -4.748434 -0.211433 0.509811
C -5.446806 1.444314 1.142808
C 1.464792 2.095772 1.646289
C -1.244712 -1.974620 1.778233
C -2.200867 -2.815574 -0.819298
P -2.086241 1.430607 -0.449367
C -2.068056 2.823028 0.787864
C -2.942459 2.214742 -1.903125
C -5.694320 -0.732569 -1.060582
C -4.954110 -1.566444 1.837139
H -3.036231 -3.327108 -0.313487
H -2.513646 -2.536071 -1.835506
H -1.345072 -3.508298 -0.869985
H -0.535935 -2.808754 1.661396
H -0.787334 -1.180776 2.387617
H -2.148178 -2.337592 2.293423
H 3.243166 -3.120831 0.666517
H 1.816946 -2.504590 1.551214
H 1.608794 -3.669852 0.194109
H 3.833353 -2.388158 -2.022368
H 2.209810 -3.003567 -2.474249
H 2.726153 -1.361289 -2.984292
H 3.073969 3.326483 -0.690512
H 2.340527 2.505368 -2.103378
H 1.326817 3.540422 -1.034147
H 2.411562 2.484409 2.055681
H 0.742777 2.922954 1.570706
H 1.079050 1.324317 2.329367
H -1.517914 3.691836 0.390084
H -3.100596 3.132248 1.013835
H -1.592802 2.479031 1.717711
H -2.410962 3.126604 -2.220682
H -2.967417 1.498597 -2.737803
H -3.976698 2.484740 -1.634780
H 6.845200 -1.059402 -0.068214
H 5.458902 -2.140125 -0.301488
H 5.801478 -0.861657 -1.497863
H 6.410643 1.968559 0.770236
H 5.390073 2.228014 -0.664951
H 4.776840 2.626686 0.963859
H -6.774644 -0.842937 -0.861673
H -5.578949 0.012232 -1.866574
H -5.329218 -1.698602 -1.450019
H -6.523504 1.347501 1.363796
H -4.944923 1.773569 2.068082
H -5.344015 2.250056 0.395148
H -4.542842 -2.536942 1.506596
H -4.455265 -1.291349 2.781842
H -6.021644 -1.732766 2.060919
H 4.164407 0.310635 3.032281
H 4.407350 -1.392543 2.578337
H 5.812734 -0.324201 2.808104
H -0.093958 0.028168 -2.423335
58
58-H+
C -2.769571 -0.061114 0.198028
P -4.452691 -0.379294 0.853473
C -4.127175 -1.666433 2.189863
P -1.459724 -1.156387 -0.128028
C -0.614896 -1.949588 1.340099
P -2.244037 1.550664 -0.315592
C -2.446846 2.797556 1.048559
C -1.774965 -2.594281 -1.259578
Ge -0.048725 0.498185 -1.056903
P 1.556260 1.457688 0.396925
C 2.109886 3.135678 -0.174387
C -3.339596 2.250052 -1.643677
C -5.212758 -1.518948 -0.443277
C 2.679968 0.133345 0.261278
P 2.143269 -0.843499 -1.115365
C 3.161865 -0.620959 -2.660801
C 0.966426 1.782706 2.121934
P 4.188133 0.136237 1.306972
C 5.535260 -0.349984 0.086552
C 4.039426 -1.497906 2.235893
C 2.323666 -2.669188 -0.790142
H 2.960763 3.452562 0.451399
H 2.439612 3.078772 -1.222170
H 1.297242 3.873825 -0.078520
H 0.409753 2.729336 2.180492
H 0.333759 0.952715 2.468143
H 1.858789 1.847362 2.766960
H -3.507629 2.820122 1.347790
H -1.843295 2.504478 1.918523
H -2.149268 3.802471 0.708120
H -4.386465 2.234461 -1.296938
H -3.055850 3.288589 -1.879237
H -3.253838 1.635334 -2.552565
H -2.431809 -3.321842 -0.756635
H -2.264753 -2.242928 -2.178560
H -0.823390 -3.091641 -1.507373
H -1.243974 -1.790415 2.227348
H -0.468332 -3.030106 1.186419
H 0.365197 -1.471691 1.499763
H 1.945312 -3.242172 -1.652057
H 3.384437 -2.926080 -0.642879
H 1.764838 -2.948826 0.113515
H 2.774288 -1.265252 -3.467171
H 3.100259 0.429423 -2.984569
H 4.217025 -0.872492 -2.474779
H -6.226388 -1.806797 -0.118859
H -5.299159 -0.978272 -1.398690
H -4.623512 -2.437261 -0.602978
H -5.093996 -2.017502 2.584958
H -3.572979 -2.544614 1.814048
H -3.563895 -1.211606 3.019818
H 6.483881 -0.477702 0.632310
H 5.306878 -1.295174 -0.434335
H 5.670081 0.449438 -0.658051
H 4.934169 -1.637043 2.864821
H 3.159037 -1.460641 2.896702
H 3.945040 -2.364859 1.562285
H -0.134910 0.887330 -2.554009
96
59-H+
C -5.620185 -0.120751 0.829130
C -4.673395 -1.160917 0.696759
C -5.110438 -2.453594 0.338706
C -6.472602 -2.695064 0.101231
C -7.404969 -1.650924 0.209572
C -6.975794 -0.363059 0.573437
P -2.921464 -0.765617 1.091222
C -1.983636 -2.258532 0.493556
C -1.393127 -3.079889 1.480609
C -0.606858 -4.186086 1.118163
C -0.378200 -4.471859 -0.237765
C -0.957708 -3.662457 -1.228749
C -1.763623 -2.570959 -0.867176
N -2.502614 0.427536 -0.179533
C -3.140845 0.853766 -1.381426
C -3.985542 -0.005800 -2.116693
C -4.584732 0.445259 -3.301386
C -4.341313 1.739022 -3.787295
C -3.494361 2.591123 -3.060503
C -2.904315 2.163400 -1.863777
N -1.278209 1.050814 0.125774
C -1.236049 2.056344 1.135185
C -2.396826 2.793103 1.441817
C -2.331470 3.820104 2.393386
C -1.121808 4.125559 3.037629
C 0.028065 3.379335 2.733268
C -0.029421 2.338897 1.799954
Ge 0.130862 0.272792 -0.748955
N 1.693051 1.305697 -1.082912
C 1.746314 2.706866 -0.830263
C 0.714721 3.495226 -1.383207
C 0.678770 4.870945 -1.135558
C 1.684619 5.483554 -0.367866
C 2.732085 4.701784 0.140155
C 2.771808 3.316433 -0.083278
N 2.732957 0.514559 -0.430526
C 3.991417 0.390858 -1.106874
C 5.060480 -0.212082 -0.414763
C 6.302401 -0.351918 -1.046868
C 6.492762 0.128697 -2.353295
C 5.427516 0.749098 -3.024062
C 4.171495 0.880559 -2.411853
P 1.958481 -0.824090 0.342497
C 2.207620 -0.707774 2.130333
C 1.574716 -1.632946 2.989842
C 1.707257 -1.483316 4.376688
C 2.456483 -0.417527 4.904589
C 3.076538 0.505545 4.045832
C 2.950473 0.370330 2.656533
C 2.556716 -2.392087 -0.310446
C 2.462907 -2.585179 -1.707477
C 2.885751 -3.795483 -2.266879
C 3.390033 -4.814948 -1.438818
C 3.485784 -4.619441 -0.050748
C 3.075174 -3.406589 0.519824
H -0.061166 3.024567 -1.992004
H -0.134424 5.467916 -1.552668
H 1.658443 6.558275 -0.183343
H 3.532744 5.168558 0.717396
H 3.596582 2.720839 0.304870
H 4.921555 -0.563304 0.609808
H 7.125918 -0.825156 -0.509205
H 7.465062 0.030192 -2.838003
H 5.568387 1.136253 -4.034833
H 3.343993 1.365347 -2.927278
H 0.981078 -2.450351 2.578923
H 1.219835 -2.194296 5.045833
H 2.550522 -0.302889 5.985590
H 3.655265 1.334405 4.456726
H 3.405825 1.095630 1.981434
H 2.086117 -1.788940 -2.353248
H 2.825928 -3.944113 -3.346100
H 3.716909 -5.758812 -1.878392
H 3.890406 -5.406740 0.587359
H 3.162362 -3.246783 1.594719
H -3.328370 2.567463 0.924324
H -3.234127 4.389068 2.623752
H -1.077397 4.930318 3.772749
H 0.975461 3.595988 3.229888
H 0.865639 1.752921 1.595224
H -4.190818 -1.011993 -1.761746
H -5.240420 -0.232906 -3.851133
H -4.804525 2.078157 -4.714911
H -3.298300 3.604882 -3.416112
H -2.269127 2.840748 -1.294402
H -1.551327 -2.848889 2.537670
H -0.167968 -4.820102 1.891888
H 0.254237 -5.314361 -0.520703
H -0.788617 -3.886247 -2.283932
H -2.217249 -1.952801 -1.642084
H -4.388657 -3.265215 0.234132
H -6.803172 -3.698273 -0.175231
H -8.462473 -1.839991 0.016285
H -7.697772 0.450932 0.661450
H -5.295395 0.881680 1.117996
H -0.398223 -0.455727 -1.976603
86
60-H+
C -2.853409 -3.446925 -0.607636
N -1.570443 -2.900486 -0.544908
C -1.553941 -1.641379 -1.054877
N -2.832258 -1.397417 -1.459056
C -3.656880 -2.490743 -1.187005
Ge -0.116199 -0.222685 -1.061351
Si -0.793385 1.584284 0.418290
Si -2.294628 0.724948 2.019736
C -4.082777 0.570099 1.347243
C -3.265628 -0.131938 -2.068004
C -0.406608 -3.615666 -0.019208
C -5.120653 -2.513287 -1.498803
C -3.166322 -4.822175 -0.108215
Si 2.094187 -0.331994 -0.022910
Si 2.947856 -2.105033 1.283584
C 4.589285 -1.429855 1.991316
Si 1.433668 1.559945 1.283678
C 1.516979 1.276419 3.177244
Si 3.553494 0.268641 -1.787286
C 5.168210 0.985921 -1.063921
Si -1.430766 3.604681 -0.611793
C -1.485082 4.948693 0.744573
C 2.458220 3.126356 0.877099
C 3.920945 -1.271553 -2.854819
C 2.716488 1.591866 -2.881567
C 1.811487 -2.541637 2.757320
C 3.313424 -3.671157 0.248335
C -0.131958 4.058435 -1.933603
C -3.148646 3.476495 -1.446066
C -1.749477 -1.029147 2.564454
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C -2.685389 -1.415932 -2.911632
C -2.643469 0.262437 3.810811
H 5.526632 -2.092033 -1.059510
H 6.607417 -0.733798 0.717018
H 5.220965 0.606886 2.289105
H 1.818047 -2.573064 -1.314177
H 2.952139 -4.195962 -2.721195
H 4.534051 -3.425943 -2.483281
H 3.729686 -4.240194 -1.111540
H 2.168934 -1.970922 -3.711227
H 2.113101 -0.500161 -2.696711
H 3.679118 -1.118373 -3.284050
H 1.452142 0.821820 2.113247
H 2.027564 0.835058 4.522568
H 2.311848 -0.787960 3.824449
H 3.689294 0.296456 4.154673
H 2.300448 2.918114 3.107041
H 3.977411 2.477207 2.702838
H 2.808000 2.809240 1.396280
H -5.220946 0.606901 2.289146
H -6.607420 -0.733759 0.717061
H -5.526662 -2.091995 -1.059480
H -1.818066 -2.573028 -1.314181
H -2.952122 -4.195984 -2.721126
H -3.729709 -4.240167 -1.111489
H -4.534048 -3.425975 -2.483281
H -2.168977 -1.970926 -3.711229
H -3.679179 -1.118404 -3.284065
H -2.113176 -0.500146 -2.696739
H -1.452116 0.821790 2.113249
H -2.027504 0.835002 4.522578
H -3.689257 0.296459 4.154698
H -2.311851 -0.787997 3.824440
H -2.300349 2.918091 3.107074
H -2.807946 2.809252 1.396325
H -3.977332 2.477234 2.702909
H -3.365271 1.618876 -1.031740
H -3.417418 3.831309 -2.193632
H -1.347854 5.025204 -2.814814
H 1.347858 5.025206 -2.814804
H 3.417420 3.831317 -2.193606
H 3.365267 1.618881 -1.031712
H 0.000000 -3.019532 0.175979
25
70-H+
C -0.536016 2.740700 -0.364653
N -0.289808 1.287206 -0.365385
Ge -1.634314 0.000250 -0.462572
Cl -2.903007 -0.000285 1.265765
C 0.945867 0.736508 -0.137144
C 0.945721 -0.736543 -0.137293
N -0.290026 -1.286977 -0.365841
C -0.536773 -2.740460 -0.365315
C 2.068655 1.566141 0.067826
C 3.412941 1.250658 0.299801
C 4.032258 -0.000313 0.405942
C 3.412611 -1.251171 0.300113
C 2.068308 -1.566441 0.068029
H 1.862612 2.635567 0.039710
H 4.067023 2.117449 0.417645
H 5.106988 -0.000466 0.594606
H 4.066522 -2.118052 0.418274
H 1.862079 -2.635823 0.040141
H -1.602668 -2.921527 -0.555752
H 0.051264 -3.228395 -1.158285
H -0.274510 -3.179176 0.610488
H -1.601996 2.922203 -0.554257
H -0.272884 3.179348 0.610952
H 0.051594 3.228504 -1.158037
H -2.489432 0.001109 -1.726450
37
71-H+
C -1.814106 3.107078 0.147834
C -0.323784 2.766815 0.301636
C 0.207442 3.215480 1.676289
N -0.091813 1.296132 0.127369
Ge -1.436897 0.000228 0.171779
Cl -2.610078 0.000566 -1.635323
C 1.141761 0.738700 -0.103058
C 1.141558 -0.739129 -0.102944
N -0.092273 -1.296146 0.127299
C -0.324713 -2.766724 0.301627
C 0.205512 -3.215338 1.676678
C 2.276617 -1.558507 -0.300800
C 3.617887 -1.247305 -0.551196
C 4.240674 -0.000729 -0.669711
C 3.618142 1.246053 -0.551893
C 2.276999 1.557720 -0.301480
C -1.815003 -3.106707 0.146809
H 2.087505 -2.627877 -0.251869
H 4.266827 -2.117973 -0.669730
H 5.313420 -0.000877 -0.869078
H 4.267283 2.116494 -0.671012
H 2.088135 2.627159 -0.253089
H 0.215372 3.282030 -0.508767
H 0.214833 -3.282200 -0.508352
H -1.937488 4.194828 0.248216
H -2.205487 2.806074 -0.834245
H -2.416891 2.638637 0.945186
H 0.104856 4.307004 1.771128
H -0.379572 2.740310 2.477985
H 1.265262 2.950339 1.817284
H -1.938660 -4.194428 0.247173
H -2.418292 -2.638097 0.943674
H -2.205606 -2.805664 -0.835568
H 0.102620 -4.306825 1.771596
H 1.263300 -2.950405 1.818300
H -0.381902 -2.739930 2.477944
H -2.358802 0.000139 1.385349
32
72-H+
C -1.545130 1.232319 1.351072
C -2.143202 0.561627 0.245411
C -2.603274 1.351272 -0.858111
C -2.435950 2.742329 -0.861355
C -1.829784 3.378507 0.233143
C -1.398447 2.622248 1.340425
P -2.549865 -1.299241 0.221825
C -1.400108 -2.000513 1.589151
C 0.120903 -1.655587 1.633655
P 1.018894 -1.772121 -0.037704
C 2.324441 -0.468590 -0.000594
C 2.909868 -0.082842 -1.227534
C 3.937708 0.869099 -1.244155
C 4.404956 1.424165 -0.040134
C 3.843052 1.021882 1.181223
C 2.803966 0.077622 1.207938
Ge -0.767618 -0.893030 -1.155771
H 0.290573 -0.649282 2.035750
H 0.605092 -2.373534 2.315029
H -1.848621 -1.721646 2.557454
H -1.529477 -3.090033 1.487950
H 2.567602 -0.523797 -2.167881
H 4.378525 1.170057 -2.195862
H 5.212340 2.157808 -0.054480
H 4.215896 1.435479 2.119777
H 2.394645 -0.236193 2.168924
H -3.112968 0.867050 -1.695131
H -2.793562 3.326001 -1.710550
H -1.706574 4.462382 0.233902
H -0.957239 3.122832 2.203645
H -1.253487 0.671227 2.236638
H -0.868400 -0.412202 -2.613111
78
73-H+
C -2.749930 1.566527 -0.031840
C -2.796681 0.180603 -0.353810
C -4.000581 -0.426172 -0.828353
C -5.149033 0.377228 -0.936200
C -5.120147 1.735351 -0.592030
C -3.931206 2.322708 -0.151050
Ge -1.236871 -0.923895 0.024244
N 0.418426 -0.436287 -0.830977
C 0.658299 -0.382292 -2.283120
C -4.085178 -1.919834 -1.166170
C -5.137869 -2.266775 -2.241850
C -1.483071 2.288846 0.428270
C -1.610387 2.782490 1.886956
C -0.290722 -0.612369 1.730278
N -0.790722 -0.652660 2.962084
C -2.178574 -0.948962 3.317472
C 1.074961 -0.330453 1.464631
N 1.872279 -0.125264 2.594306
C 3.127980 0.156082 2.629281
C 1.408216 -0.270473 0.064193
C 2.795329 -0.046628 -0.430808
C 3.668353 -1.160062 -0.520494
C 4.987839 -0.929759 -0.949167
C 5.425111 0.359623 -1.276154
C 4.540293 1.443680 -1.198018
C 3.208611 1.262538 -0.786308
C 3.225556 -2.579668 -0.166733
C 4.038018 -3.135028 1.026331
C 2.265058 2.459222 -0.670652
C 2.320481 3.377827 -1.911178
C 3.336849 -3.515977 -1.392845
C 2.565395 3.260434 0.618368
C -4.355400 -2.735518 0.121786
C -1.129890 3.457650 -0.521049
H 1.069938 0.598543 -2.562017
H 1.369986 -1.163987 -2.588864
H -0.299524 -0.531491 -2.799342
H 5.675926 -1.773301 -1.024631
H 6.455122 0.520331 -1.599669
H 4.886443 2.443424 -1.462459
H 2.166768 -2.558854 0.138527
H 3.692837 -4.150222 1.278714
H 5.109062 -3.191145 0.775429
H 3.923922 -2.494901 1.914872
H 2.984373 -4.526215 -1.130984
H 2.734867 -3.143336 -2.237781
H 4.382042 -3.595415 -1.730390
H 1.233480 2.083794 -0.593641
H 1.880716 4.119983 0.703203
H 2.450834 2.632239 1.515346
H 3.596970 3.646546 0.596344
H 1.552513 4.161625 -1.827007
H 3.298828 3.875022 -1.997254
H 2.143258 2.811815 -2.839867
H 3.580761 0.286316 3.619485
H 3.781003 0.275660 1.756479
H -0.108207 -0.492444 3.709439
H -2.457472 -0.355796 4.199464
H -2.837509 -0.672679 2.482027
H -2.306596 -2.019569 3.550378
H -6.079097 -0.060561 -1.296766
H -6.026724 2.337116 -0.679567
H -3.910590 3.383855 0.101391
H -3.110858 -2.236468 -1.574771
H -5.023493 -3.321079 -2.535792
H -6.162752 -2.140246 -1.859042
H -5.020021 -1.637200 -3.137022
H -4.390684 -3.813035 -0.104838
H -3.575530 -2.570463 0.884336
H -5.322054 -2.437675 0.558486
H -0.632772 1.591844 0.395485
H -0.674940 3.271590 2.202074
H -2.430161 3.511635 1.980632
H -1.814035 1.945838 2.572828
H -0.195357 3.935201 -0.191773
H -0.998442 3.103170 -1.555192
H -1.922863 4.220649 -0.517740
H -1.356063 -2.431019 -0.220627
62
74-H+
C -1.832045 -3.071760 -0.710071
Si -2.786831 -1.491963 -0.238170
C -3.687359 -0.908836 -1.807250
C -1.513713 -0.107310 0.317664
Si -2.404851 1.660605 0.352081
C -4.237044 1.513214 0.828734
Ge -0.018651 -0.103310 -0.888914
C 1.490183 0.020709 0.292727
Si 2.610983 1.536221 -0.276806
C 2.815388 1.474551 -2.167635
C -0.719137 -0.426134 1.645727
C 0.702714 0.227576 1.655431
Si 2.582835 -1.626769 0.352524
C 3.517851 -1.597857 2.003858
C -1.625086 2.761554 1.690194
C -2.197795 2.433425 -1.376955
C -3.918738 -1.897641 1.225470
C 1.491303 -3.181107 0.324546
C 3.758442 -1.719486 -1.134416
C 1.717354 3.158545 0.148519
C 4.283302 1.530795 0.618018
H -0.608646 -1.517717 1.758668
H -1.280416 -0.069948 2.523267
H 1.278097 -0.184564 2.497067
H 0.584191 1.303171 1.845251
H -4.409184 -1.681771 -2.122730
H -4.242592 0.033273 -1.692153
H -2.976061 -0.777712 -2.641774
H -4.540506 -2.775210 0.977748
H -3.323640 -2.161367 2.116221
H -4.592385 -1.073912 1.499050
H -2.545899 -3.830743 -1.074739
H -1.107774 -2.906419 -1.529355
H -1.286896 -3.515274 0.136490
H -4.671864 2.527981 0.800595
H -4.845064 0.873175 0.175017
H -4.342212 1.143828 1.861743
H -2.707737 3.409677 -1.439076
H -1.134389 2.620014 -1.624601
H -2.617877 1.791963 -2.168957
H -2.267399 3.650195 1.817554
H -1.585299 2.251224 2.666600
H -0.615308 3.118107 1.447935
H 4.860815 2.410652 0.284333
H 4.157820 1.617904 1.710032
H 4.893999 0.638153 0.417523
H 3.542195 2.243709 -2.480806
H 3.177334 0.507113 -2.545302
H 1.868389 1.706823 -2.687820
H 2.320427 4.005416 -0.221866
H 0.724916 3.235194 -0.326832
H 1.588658 3.303369 1.233274
H 4.332112 -2.660044 -1.064124
H 3.213273 -1.745346 -2.092967
H 4.484633 -0.893899 -1.181001
H 4.287782 -2.388868 1.990657
H 4.022172 -0.642052 2.203169
H 2.845836 -1.814485 2.850481
H 2.132529 -4.068074 0.470199
H 0.741792 -3.188597 1.132207
H 0.962836 -3.322066 -0.631949
H -0.025475 -0.221684 -2.425972
96
75-H+
C 0.926361 -2.662288 2.868781
Si 0.931912 -2.730261 0.952367
C 1.889156 -4.291442 0.378241
Si 1.983188 -0.803159 0.066261
Si 3.369049 0.248018 1.645696
C 4.207871 1.787735 0.871656
Ge 0.059291 0.503502 -0.594430
P 0.296618 2.858182 -0.312392
C 0.817182 3.498644 1.345014
C -0.255888 3.322960 2.434150
Si -2.058998 -0.525030 -0.040315
Si -3.474549 -0.303218 -1.918273
C -4.332013 1.407534 -1.960773
Si -1.288247 -2.768880 0.144208
C -1.307272 -3.626698 -1.571350
Si -3.122632 0.133953 1.959454
C -4.697161 -0.933231 2.122819
Si 3.080505 -1.250476 -1.973234
C 4.629215 -2.316477 -1.643999
C -2.400215 -3.764261 1.349758
C 1.883662 -2.174469 -3.140960
C 3.590158 0.392808 -2.811187
C 2.360905 0.735613 3.199038
C 4.727019 -0.993035 2.154195
C -2.002697 -0.164612 3.480945
C -3.684650 1.962113 1.899419
C -2.458536 -0.534583 -3.518624
C -4.816152 -1.658010 -1.804630
C 1.564102 3.424919 -1.556399
C 2.293012 4.744130 -1.227479
C -1.313863 3.674404 -0.734924
C -1.301753 5.215720 -0.686162
H 1.952747 -2.623213 3.270602
H 0.381931 -1.781107 3.242129
H 0.438918 -3.561258 3.283898
H 2.930372 -4.274611 0.742224
H 1.414131 -5.208319 0.767843
H 1.916768 -4.367065 -0.720576
H -0.921577 -4.656952 -1.481077
H -2.327364 -3.689084 -1.984794
H -0.676953 -3.098906 -2.303906
H -2.031927 -4.801172 1.436139
H -2.402367 -3.322870 2.359115
H -3.442852 -3.808390 0.994204
H -5.219391 -0.685008 3.063645
H -5.398302 -0.742984 1.293469
H -4.471757 -2.010508 2.135470
H -4.345791 2.174448 2.758060
H -2.845257 2.670575 1.951997
H -4.255779 2.173729 0.980812
H -2.486510 0.218704 4.396512
H -1.825563 -1.242961 3.626941
H -1.015975 0.320926 3.397463
H -5.504967 -1.585236 -2.664550
H -4.378103 -2.669610 -1.814016
H -5.417564 -1.562099 -0.885626
H -4.943804 1.496427 -2.875879
H -5.006104 1.549284 -1.099248
H -3.610368 2.241608 -1.964225
H -3.116706 -0.460265 -4.402078
H -1.672386 0.232344 -3.619851
H -1.969800 -1.521866 -3.547330
H 5.400188 -0.545327 2.906081
H 4.294458 -1.906843 2.595020
H 5.341235 -1.297414 1.290826
H 4.778529 2.350333 1.631502
H 4.917090 1.480624 0.084839
H 3.490648 2.483715 0.407143
H 2.936774 1.420954 3.845741
H 1.404021 1.224380 2.957593
H 2.124870 -0.162888 3.791680
H 4.186764 0.190838 -3.717962
H 2.701843 0.966675 -3.124544
H 4.198351 1.030831 -2.148140
H 5.126180 -2.572928 -2.596229
H 5.365122 -1.784986 -1.017599
H 4.373976 -3.260595 -1.135455
H 2.360007 -2.348903 -4.121653
H 1.591385 -3.155781 -2.733076
H 0.962443 -1.592945 -3.317409
H 1.068290 4.562875 1.215608
H 1.744072 2.975709 1.618628
H 0.163535 3.600885 3.412557
H -1.125610 3.967596 2.241131
H -0.606176 2.282657 2.498988
H -1.578425 3.311958 -1.741530
H -2.066086 3.262330 -0.044953
H -2.309526 5.595159 -0.914113
H -1.018912 5.586740 0.310752
H -0.605981 5.636385 -1.426391
H 2.291837 2.606961 -1.661344
H 1.027422 3.493852 -2.516884
H 2.972764 4.992626 -2.056790
H 1.596270 5.584199 -1.094168
H 2.898899 4.644798 -0.314856
H 0.105630 0.688070 -2.146193
77
76-H+
C 2.027963 1.353779 -1.378639
C 2.370525 0.420944 -0.356986
C 3.732446 0.022257 -0.161942
C 4.713459 0.533788 -1.026337
C 4.375012 1.412603 -2.064996
C 3.050467 1.820968 -2.229827
Ge 1.002321 -0.474619 0.718888
C -0.917872 -0.272249 0.451881
C -1.846007 0.633032 1.014925
C -3.204356 0.476105 0.650389
C -3.669677 -0.504751 -0.238905
C -2.715003 -1.381585 -0.797303
C -1.367622 -1.259879 -0.463445
C -1.507651 1.798606 1.973388
C -1.980257 3.133060 1.330848
C -0.327275 -2.140742 -1.126733
N 0.837958 -2.358115 -0.187273
C 0.471090 -3.371492 0.856884
C -5.151086 -0.648538 -0.626523
C -5.287727 -0.438353 -2.158574
C 4.158524 -0.869162 1.012621
C 4.325943 0.001121 2.281531
C 0.620005 1.910870 -1.602255
C 0.014679 1.402491 -2.929995
C 2.032772 -2.831048 -0.957170
C -5.637778 -2.075837 -0.258974
C -6.059118 0.375676 0.089414
C -2.252537 1.581704 3.318407
C -0.005551 1.953528 2.292598
C 5.428641 -1.707953 0.755687
C 0.608460 3.457625 -1.555149
H -3.028760 -2.154513 -1.501471
H -3.926109 1.161047 1.089320
H -0.730281 -3.119752 -1.430944
H 0.088020 -1.646864 -2.020121
H -1.760502 3.967201 2.016134
H -1.456806 3.317832 0.380204
H -3.062036 3.131581 1.134677
H 0.135668 2.836492 2.934429
H 0.387889 1.093865 2.860349
H 0.600241 2.130816 1.386280
H -2.036771 2.419318 4.000702
H -3.341445 1.531587 3.172636
H -1.924277 0.646001 3.798779
H -7.101300 0.215708 -0.224752
H -6.011792 0.260559 1.184271
H -5.781450 1.410427 -0.168592
H -6.341364 -0.561977 -2.455488
H -4.960910 0.574275 -2.444215
H -4.686285 -1.169209 -2.721431
H -6.694118 -2.190196 -0.549344
H -5.055926 -2.850367 -0.782788
H -5.553732 -2.250880 0.825460
H 1.757400 -3.732515 -1.526028
H 2.357508 -2.032172 -1.634059
H 2.841576 -3.068293 -0.256589
H 1.301057 -3.459807 1.569213
H -0.436087 -3.034538 1.374369
H 0.286253 -4.341190 0.369320
H 5.755231 0.244259 -0.893353
H 5.150814 1.786656 -2.735713
H 2.796789 2.522705 -3.025309
H 3.353712 -1.594127 1.220506
H 5.574634 -2.416231 1.585476
H 5.356755 -2.275585 -0.185969
H 6.326395 -1.072964 0.705259
H 4.592328 -0.626650 3.146978
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47
82-H+
C -1.530502 1.309279 0.007496
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C -1.758519 -1.170654 0.017561
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C -2.870614 1.413189 0.417583
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O 1.688335 -1.616045 -1.000529
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C -2.211834 -3.662503 -0.488040
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43
83-H+
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H -1.109383 4.239408 0.960290
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34
84-H+
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N -2.136177 -0.302931 0.216600
C -2.584651 -1.726102 0.096694
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O -0.282446 1.501262 -0.602577
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H -0.000062 0.000627 1.885139
102
85-H+
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C 1.494520 -4.032715 -1.102612
C 2.657950 -4.275680 -1.848082
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C 2.936076 1.590932 1.325163
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C -2.656925 4.276782 -1.847099
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C -3.983177 3.173587 -0.132805
C -2.817414 2.913506 0.599263
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C -4.106001 -1.500553 2.295437
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49
86-H+
C -4.409602 1.180855 0.293918
C -3.158050 1.815227 0.268067
C -2.008954 1.100966 -0.104681
N -2.146577 -0.219692 -0.448371
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C -4.505837 -0.174718 -0.064050
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Cl -0.702177 -3.127574 -0.309610
C -0.089194 2.449113 -2.011009
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Si 2.554093 0.223249 -0.859405
C 3.299740 1.936848 -0.501665
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53
87-H+
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O -2.322948 0.436652 -0.262574
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O -0.650520 0.983721 1.254864
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C -1.349293 2.657847 -0.387159
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C -3.519036 -3.121459 -0.406363
C -4.289461 -1.224173 1.077020
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54
88-H+
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C 0.258404 -1.050588 -0.016247
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O -2.145669 -0.999939 -0.360775
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C -1.020541 -1.856871 0.065036
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C 4.049649 -2.511167 1.519000
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C 2.074179 3.255454 0.949127
Cl -2.492556 1.515013 1.672920
C -4.496222 -0.526104 -0.871273
C -3.552556 -2.839989 -1.238119
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34
89-H+
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C -0.000118 0.309828 -0.196842
C 1.220865 0.981849 -0.095367
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C -0.000343 3.084128 0.219284
C -1.240716 2.409997 0.118379
C 2.439247 0.249454 -0.192369
C 3.661031 0.872057 -0.070187
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C -2.439331 0.249052 -0.192387
C -3.661272 0.871342 -0.070151
C -3.681280 2.291412 0.142489
C -2.523060 3.042017 0.229996
O 2.219523 -1.119958 -0.431859
C 3.341370 -2.038213 -0.284867
Ge -0.000100 -1.573403 -0.386539
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O -2.218999 -1.120258 -0.432018
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94
90-H+
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C -3.336457 -2.047695 -1.558389
C -4.559935 -2.729802 -1.440308
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N -0.006872 1.698905 0.010285
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C 0.102287 5.346174 -0.807631
C -0.326503 5.909097 0.401794
C -0.659196 5.085424 1.483463
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C -1.377822 3.219595 -0.410784
C -2.493146 3.831496 0.185747
C -3.804124 3.442392 -0.136919
C -3.983573 2.405312 -1.066661
C -2.896490 1.747789 -1.666835
C 0.020355 3.738812 -0.133369
C -4.995313 4.087602 0.541475
C -3.130123 0.639012 -2.671903
C -2.836325 -1.787564 1.231212
C -3.298256 -3.059189 0.816451
C -4.463975 -3.136389 0.035242
C -5.214696 -1.994586 -0.290466
C -4.793758 -0.755782 0.220531
C -3.622681 -0.633108 0.984854
C -2.583627 -4.342444 1.202697
C -6.473938 -2.100626 -1.128938
C -3.253799 0.702200 1.600548
C 3.224115 -1.698750 1.846973
C 5.214193 2.917902 2.514206
C 0.194278 2.276480 2.839410
H -2.543974 -2.623873 3.692077
H -0.667425 -2.207528 5.301996
H 1.272254 -0.807131 4.560726
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H 1.085743 2.532361 -5.087947
H -0.873415 3.123115 -3.639635
H -4.793729 -4.114701 -0.327345
H -5.390922 0.138588 0.026648
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H 2.571192 3.603194 2.786926
H 4.431414 -3.423520 -2.431211
H 5.641921 0.022192 -0.149696
H -4.997755 2.095582 -1.333148
H -2.333215 4.642927 0.901665
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H 4.454105 2.038296 -0.266502
H 3.312972 2.273001 -1.625000
H 2.824366 -2.646096 -4.442874
H 1.797109 -3.361352 -3.175621
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H 7.240292 -1.886983 -0.586091
H 6.186249 -3.013540 0.295980
H 6.650901 -3.375381 -1.382551
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H -4.206673 0.457696 -2.809940
H -2.684977 0.889876 -3.649253
H -2.662507 -0.302544 -2.339032
H -4.778927 5.128371 0.831121
H -5.880858 4.083972 -0.114291
H -5.266249 3.539561 1.462781
H 4.290245 -1.968186 1.858567
H 2.690479 -2.316079 2.587670
H 2.824631 -1.960849 0.852828
H -0.209503 1.846781 3.772102
H 0.241211 3.370026 2.950555
H -0.531127 2.040875 2.047169
H 5.034274 3.795445 3.155759
H 6.098387 2.381981 2.895461
H 5.467235 3.294389 1.505938
H -2.658822 -5.089616 0.396733
H -1.520755 -4.172565 1.426175
H -3.039270 -4.785995 2.106830
H -2.897172 0.571465 2.634233
H -2.455183 1.208776 1.039888
H -4.123272 1.372965 1.608238
H -7.373379 -2.196995 -0.493881
H -6.610526 -1.204288 -1.755885
H -6.439819 -2.981809 -1.789231
P -0.621713 -2.484846 -1.608558
H -1.012256 -3.286572 -0.494117
89
5-PH
C 5.602266 0.323004 -3.797931
C 5.913402 0.624045 -2.481420
C 5.095384 0.162052 -1.408839
C 3.930664 -0.641162 -1.707265
C 3.634860 -0.924045 -3.075365
C 4.450213 -0.454831 -4.094469
C 3.102026 -1.089792 -0.618312
C 3.434808 -0.746862 0.684142
C 4.579662 0.040275 0.972172
C 5.393891 0.487329 -0.052902
C 1.880976 -1.900908 -0.923252
C 0.581784 -1.327697 -0.946939
C -0.496711 -2.088923 -1.487439
C -0.283022 -3.430479 -1.866921
C 0.980715 -4.019402 -1.741110
C 2.061778 -3.246526 -1.301147
Ge 0.253579 0.498944 -0.218314
C -1.398703 0.414426 0.883769
C -1.649374 -0.711953 1.721837
C -2.959663 -0.940778 2.197954
C -4.008294 -0.072709 1.880534
C -3.740444 1.093461 1.154533
C -2.442930 1.364612 0.679614
C -1.802084 -1.450023 -1.831001
C -3.076359 -1.974045 -1.410985
C -4.281420 -1.278961 -1.806047
C -4.191735 -0.141986 -2.659612
C -2.958839 0.314195 -3.092601
C -1.771294 -0.327860 -2.662336
C -5.543530 -1.755353 -1.344385
C -5.634245 -2.884557 -0.546439
C -4.455810 -3.592970 -0.189767
C -3.212909 -3.147305 -0.613131
C -0.595530 -1.672228 2.172525
C 0.603611 -1.241591 2.851567
C 1.537399 -2.243612 3.325350
C 1.267971 -3.624148 3.105985
C 0.095675 -4.015055 2.483272
C -0.831469 -3.040575 2.041189
C 2.720358 -1.829619 4.007939
C 2.986098 -0.488016 4.230800
C 2.065164 0.496481 3.784814
C 0.904138 0.127415 3.122964
C -2.203942 2.685440 0.024920
C -2.860809 3.016499 -1.156067
C -2.626773 4.253219 -1.810965
C -1.737325 5.168892 -1.274311
C -1.086455 4.903391 -0.035206
C -1.339145 3.654179 0.646111
C -0.748407 3.454038 1.929048
C 0.097001 4.401426 2.485380
C 0.391768 5.602216 1.785933
C -0.199321 5.848955 0.557012
H 3.067182 -3.670933 -1.264714
H 1.132128 -5.060533 -2.034587
H -1.109987 -3.993660 -2.303348
H -3.139745 -1.807149 2.836793
H -5.019039 -0.280789 2.236654
H -4.529576 1.824475 0.967193
H -3.541381 2.289092 -1.594421
H -3.140198 4.469630 -2.750679
H -1.530721 6.113440 -1.784054
H 0.000467 6.780763 0.021606
H 1.070699 6.335704 2.226008
H 0.535168 4.225587 3.470496
H -0.996787 2.550739 2.483844
H 1.995850 -4.362989 3.450385
H -0.121055 -5.073562 2.325211
H -1.762005 -3.360154 1.578216
H 3.417634 -2.599012 4.349051
H 3.897709 -0.187068 4.751437
H 2.269295 1.554296 3.960871
H 0.206206 0.895353 2.803367
H -5.114271 0.356181 -2.969070
H -2.887571 1.178923 -3.754104
H -0.806372 0.045657 -3.008397
H -2.317240 -3.702957 -0.345842
H -4.529071 -4.494788 0.422310
H -6.608398 -3.238117 -0.201894
H -6.443829 -1.210982 -1.641272
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H 4.799806 0.291901 2.010804
H 6.274722 1.099900 0.156802
H 2.748876 -1.513313 -3.312793
H 4.202489 -0.680154 -5.134208
H 6.235933 0.687687 -4.609404
H 6.791370 1.230041 -2.242133
P 1.381049 2.276290 -0.722378
H 2.268056 1.489421 -1.536595
115
6-PH
C -3.835869 0.688850 1.534835
C -3.649758 0.726857 0.129080
C -4.639368 0.172539 -0.725545
C -5.761826 -0.454701 -0.155863
C -5.940754 -0.536030 1.236116
C -4.974264 0.057141 2.065274
Ge -2.003271 1.553181 -0.603735
C -0.310147 0.671643 -0.102835
C -0.199399 -0.756843 -0.174743
C 1.056802 -1.358970 0.040216
C 2.205209 -0.617190 0.369789
C 2.064733 0.776276 0.468878
C 0.847681 1.446279 0.233163
C -1.362281 -1.680450 -0.495967
Si -1.774739 -2.899954 0.939281
C -0.650838 -4.439878 1.005688
C 3.561599 -1.257428 0.585126
Si 4.488309 -1.382058 -1.101801
C 3.406822 -2.259752 -2.393381
C 0.871205 2.963165 0.304141
Si 1.845492 3.681077 -1.204905
C 3.712925 3.827103 -0.832992
C -4.521437 0.234475 -2.238115
C -7.122450 -1.278837 1.825138
C -2.833384 1.338911 2.468390
Si -1.228710 -2.394829 -2.275524
C 0.045717 -3.803615 -2.438203
Si 3.550030 -2.870888 1.631797
C 5.251339 -3.045545 2.476757
Si 1.369320 3.649042 2.031087
C 3.096555 3.101761 2.633763
C -2.940209 -3.072755 -2.787397
C -0.713896 -0.961093 -3.421236
C -1.614208 -1.962870 2.591650
C -3.579242 -3.473005 0.723954
C 1.327644 5.554893 1.961318
C 0.100947 3.039651 3.316775
C 1.579509 2.518225 -2.690497
C 1.177136 5.414029 -1.622981
C 2.213613 -2.739682 2.982924
C 3.244532 -4.413607 0.546623
C 4.874073 0.382086 -1.707466
C 6.140715 -2.317493 -0.899382
H 1.126639 -2.442323 -0.048272
H 2.946122 1.368379 0.710512
H -6.512111 -0.897364 -0.817560
H -5.104119 0.024217 3.151021
H -2.296337 -1.098954 -0.548906
H 0.267147 -3.994444 -3.503027
H 0.998578 -3.559578 -1.946805
H -0.330576 -4.743393 -2.003173
H -3.018949 -3.152155 -3.885823
H -3.112066 -4.079526 -2.370950
H -3.760546 -2.426751 -2.437004
H -0.677002 -1.283955 -4.476344
H -1.409351 -0.106401 -3.355971
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H -0.929296 -5.053187 1.881423
H -0.757599 -5.074014 0.110935
H 0.414104 -4.186627 1.114331
H -3.915494 -4.028691 1.617321
H -4.250665 -2.609024 0.591348
H -3.704426 -4.135855 -0.148053
H -1.540193 -2.663429 3.441439
H -0.719449 -1.319683 2.605682
H -2.495674 -1.323770 2.752970
H -0.150683 3.361729 0.169267
H 4.259034 4.135827 -1.741760
H 3.907273 4.584469 -0.054952
H 4.149923 2.874519 -0.496543
H 1.642488 5.789696 -2.551428
H 0.086813 5.383527 -1.783321
H 1.384653 6.144082 -0.823919
H 2.172897 2.843213 -3.562886
H 1.868302 1.483306 -2.445422
H 0.517934 2.502938 -2.989378
H 3.341963 3.634026 3.570156
H 3.126278 2.021259 2.849786
H 3.890731 3.325654 1.904242
H 1.429620 5.982276 2.974208
H 2.148523 5.958229 1.345308
H 0.380338 5.924638 1.533970
H 0.378936 3.369958 4.333166
H -0.910249 3.423432 3.104285
H 0.044759 1.938374 3.324735
H 4.179151 -0.543976 1.166940
H 3.896439 -2.251567 -3.382702
H 3.217293 -3.310207 -2.122193
H 2.430942 -1.759011 -2.495790
H 6.713091 -2.281523 -1.842968
H 6.768183 -1.863019 -0.113969
H 5.995795 -3.378669 -0.638253
H 5.416761 0.358579 -2.668877
H 3.954895 0.968944 -1.855840
H 5.504662 0.928361 -0.984520
H 2.175840 -3.656114 3.597470
H 2.427261 -1.891908 3.657518
H 1.213179 -2.575607 2.556693
H 5.264883 -3.925117 3.143997
H 6.068386 -3.165804 1.747766
H 5.479324 -2.159370 3.094705
H 3.181349 -5.322621 1.170122
H 2.311231 -4.350590 -0.035731
H 4.069128 -4.560387 -0.171141
H -7.394907 -0.878252 2.814449
H -8.004093 -1.216382 1.167360
H -6.882427 -2.349526 1.955117
H -4.656364 1.265159 -2.603873
H -3.527988 -0.092517 -2.583922
H -5.277622 -0.406109 -2.717980
H -1.817228 0.950619 2.298786
H -2.794648 2.428890 2.300807
H -3.092649 1.165212 3.523840
P -2.170233 3.314370 -1.866366
H -3.605884 3.281106 -1.766642
133
7-PH
C 3.454060 0.912837 1.301557
C 3.169577 0.911802 -0.094706
C 4.186967 0.523425 -1.015127
C 5.415549 0.056745 -0.511675
C 5.689623 -0.000462 0.861448
C 4.708762 0.465540 1.749337
Ge 1.360369 1.475875 -0.718065
C -0.215939 0.404566 -0.185739
C -1.504405 1.029146 -0.053514
C -2.654907 0.220945 0.052251
C -2.596628 -1.183952 0.056597
C -1.324485 -1.770931 0.018764
C -0.134938 -1.023709 -0.086996
C -1.718129 2.528583 0.034855
Si -2.248969 3.024690 1.817885
C -4.015143 2.501541 2.305962
C -3.835086 -2.049698 0.097052
Si -4.700006 -2.032350 -1.623382
C -5.364193 -0.313041 -2.089592
C 1.154510 -1.819934 -0.062710
Si 1.376884 -2.856091 -1.660918
C 0.112488 -4.267212 -1.877495
C 4.065391 0.675772 -2.534266
C 4.464835 -0.588916 -3.325556
C 7.008460 -0.562459 1.375783
C 8.220527 0.220777 0.821996
C 2.456658 1.490964 2.307418
C 2.575075 3.036544 2.299881
Si -2.764603 3.227987 -1.429019
C -4.643964 3.207254 -1.081848
Si -4.932640 -1.756140 1.647789
C -5.879669 -3.370489 2.015409
Si 1.363040 -2.749279 1.614956
C 0.665262 -4.526763 1.592039
C 4.928407 1.875583 -2.995424
C 7.125178 -2.066652 1.032198
C 2.611759 0.963326 3.748378
C -2.252300 5.037525 -1.723552
C -2.394105 2.186805 -2.980568
C -1.070247 2.163870 3.044724
C -2.089962 4.918028 1.979688
C 3.224978 -2.862995 2.002206
C 0.435777 -1.768001 2.961200
C 1.117054 -1.670417 -3.130684
C 3.133882 -3.604684 -1.601875
C -3.782162 -1.371211 3.118965
C -6.197439 -0.354283 1.388286
C -3.390499 -2.544575 -2.910322
C -6.136049 -3.288781 -1.618827
H -3.623732 0.712399 0.139082
H -1.248385 -2.857444 0.076968
H 6.188120 -0.255864 -1.216555
H 4.930491 0.460024 2.817992
H -0.752972 3.053878 -0.064332
H -5.194011 3.466574 -2.003720
H -5.017190 2.227911 -0.745578
H -4.913970 3.953281 -0.315502
H -2.781245 5.456047 -2.597922
H -2.485128 5.674513 -0.854246
H -1.169239 5.107841 -1.916776
H -3.054568 2.468344 -3.819230
H -1.350155 2.336371 -3.302990
H -2.528987 1.110582 -2.785959
H -4.247336 2.906215 3.307529
H -4.788070 2.863221 1.611782
H -4.102387 1.407454 2.370466
H -2.209167 5.235449 3.030507
H -1.104414 5.270200 1.630196
H -2.858470 5.440826 1.385822
H -1.404862 2.313790 4.086220
H -1.029873 1.078493 2.854611
H -0.045676 2.555737 2.961607
H 2.025264 -1.145820 -0.084215
H 0.312570 -4.790156 -2.829981
H 0.149486 -5.015635 -1.070794
H -0.913778 -3.871227 -1.932553
H 3.450216 -3.993712 -2.585077
H 3.881511 -2.863626 -1.274543
H 3.167065 -4.445119 -0.886857
H 1.398141 -2.132319 -4.092855
H 0.051043 -1.391188 -3.188375
H 1.691646 -0.737713 -3.026504
H 0.754587 -4.974409 2.597858
H -0.399693 -4.558064 1.308527
H 1.218679 -5.173757 0.891227
H 3.397736 -3.350470 2.978005
H 3.750327 -3.454185 1.233648
H 3.692371 -1.866629 2.027474
H 0.735869 -2.081609 3.976091
H 0.623079 -0.687709 2.869248
H -0.651887 -1.916134 2.864458
H -3.502129 -3.102369 0.203938
H -5.827937 -0.348031 -3.091237
H -6.124766 0.051557 -1.381600
H -4.554520 0.430633 -2.127052
H -6.549029 -3.413429 -2.635135
H -5.805967 -4.281831 -1.268741
H -6.961684 -2.962557 -0.963922
H -3.789855 -2.498537 -3.938300
H -2.515647 -1.875223 -2.854786
H -3.031157 -3.573488 -2.736501
H -4.352920 -1.153962 4.038498
H -3.127409 -2.235455 3.327732
H -3.127639 -0.509788 2.912335
H -6.497563 -3.266737 2.924575
H -6.548631 -3.652837 1.186284
H -5.182459 -4.209977 2.183357
H -6.719628 -0.120449 2.332395
H -5.731513 0.576842 1.031755
H -6.961485 -0.651212 0.650071
H 7.010434 -0.462569 2.475141
H 3.021259 0.913663 -2.787797
H 1.438689 1.221468 1.975196
H 4.297407 -0.416634 -4.401232
H 5.531803 -0.827390 -3.188236
H 3.874043 -1.460955 -3.019153
H 4.793047 2.049961 -4.075719
H 4.654453 2.793871 -2.454251
H 5.995190 1.671067 -2.805402
H 1.745655 1.282925 4.348165
H 2.669010 -0.134626 3.775016
H 3.519057 1.371732 4.223307
H 1.880589 3.484913 3.029389
H 3.601337 3.329334 2.576449
H 2.353581 3.451906 1.304051
H 8.063203 -2.483030 1.435828
H 6.276769 -2.631401 1.449463
H 7.127211 -2.210442 -0.060921
H 9.159371 -0.182310 1.236437
H 8.269140 0.135463 -0.275908
H 8.151830 1.289797 1.078879
P 1.207438 3.232204 -1.997407
H 2.633421 3.404758 -1.973418
67
8-PH
C 1.661215 0.158576 1.333681
C 1.619741 -0.710226 0.201491
C 2.771720 -0.813305 -0.640059
C 3.916367 -0.003199 -0.418999
C 3.896794 0.950419 0.619673
C 2.785430 0.995330 1.468826
Ge -0.090147 -1.548085 -0.435971
C -1.318062 0.001309 -0.805892
C -2.595832 0.269112 -0.227911
C -3.031442 1.611547 -0.223623
C -2.308566 2.675374 -0.770181
C -1.108349 2.390433 -1.457293
C -0.640031 1.056621 -1.499416
C -3.639876 -0.746102 0.322264
C -4.028109 -0.412050 1.788665
C 0.584843 0.796614 -2.366275
C -0.319417 3.490005 -2.147851
C -2.852024 4.087088 -0.647840
C 2.851948 -1.750019 -1.836248
C 5.125874 -0.142882 -1.328148
C 5.049803 1.909482 0.859769
C 0.593273 0.283686 2.458452
C -0.405879 -0.890948 2.522780
C 1.287879 0.301247 3.853971
C -0.190467 1.608383 2.268500
C -4.913491 -0.629193 -0.569237
C -3.219710 -2.224119 0.272114
H 4.816401 2.598018 1.686345
H 1.923790 -2.299768 -2.026342
H -3.808435 4.091512 -0.103037
H 1.510918 1.180508 -1.909645
H 5.979161 1.373053 1.119095
H 5.269394 2.513767 -0.036836
H 3.113609 -1.193228 -2.752374
H 3.649417 -2.498540 -1.685370
H -2.149694 4.743736 -0.105791
H -3.020671 4.545803 -1.637081
H 0.733116 -0.271543 -2.579930
H 0.460316 1.296903 -3.340859
H 2.809236 1.725683 2.278196
H -3.993168 1.846878 0.234989
H -4.078772 -2.847520 0.568968
H -2.926303 -2.522411 -0.745165
H -2.397416 -2.459599 0.958963
H -5.676200 -1.340515 -0.210517
H -5.347828 0.380949 -0.543736
H -4.671462 -0.874505 -1.615652
H -4.811908 -1.110980 2.125246
H -3.163231 -0.516174 2.459840
H -4.420615 0.610764 1.889589
H -0.939563 1.723703 3.070979
H 0.497295 2.468101 2.311103
H -0.708833 1.625337 1.300488
H 0.514752 0.319969 4.639697
H 1.905997 -0.600021 3.993106
H 1.924468 1.184335 4.005122
H -1.002344 -0.811713 3.446595
H -1.135035 -0.862291 1.702485
H 0.104913 -1.866132 2.526619
H -0.405246 3.416675 -3.247400
H -0.666515 4.489227 -1.853452
H 0.754219 3.418686 -1.909408
H 4.890055 0.165020 -2.362786
H 5.972861 0.464306 -0.983185
H 5.461990 -1.191535 -1.386173
P -0.305446 -3.670357 -0.870480
H 1.055920 -3.901473 -0.461709
59
9-PH
C 1.292922 -0.000168 -0.460840
Ge -0.013060 0.009805 1.037828
P 0.654346 -0.035575 3.104312
Si 2.458167 1.533708 -0.311840
C 3.109373 1.979119 -2.050095
Si 2.242434 -1.664540 -0.689700
C 3.750972 -1.446409 -1.843922
C 1.550487 3.077576 0.348352
C 3.876248 1.142355 0.893934
C 2.841351 -2.350148 0.977357
C 1.118765 -2.943692 -1.553165
C -1.938214 0.133112 0.528872
Si -2.603776 -1.543602 -0.128073
C -4.488315 -1.643110 0.151460
Si -2.383544 1.697229 -0.488721
C -4.199905 1.630240 -1.074199
C -2.172032 3.215020 0.642152
C -1.299031 1.874404 -2.049211
C -2.218055 -1.697051 -1.987557
C -1.827957 -2.979362 0.863665
H 0.684861 0.140250 -1.372815
H 1.654938 -3.904721 -1.647411
H 0.180270 -3.137370 -1.013688
H 0.852954 -2.615868 -2.573125
H 4.231738 -2.428396 -2.000956
H 3.452518 -1.062860 -2.834152
H 4.513980 -0.764719 -1.435874
H 3.379218 -3.302917 0.827580
H 3.527746 -1.649900 1.480236
H 2.004155 -2.533698 1.669900
H 4.538830 2.017261 1.012323
H 3.473848 0.890814 1.890057
H 4.492073 0.294660 0.555096
H 3.705407 2.907702 -2.004915
H 3.742609 1.191787 -2.485319
H 2.271318 2.161014 -2.746030
H 2.260972 3.921252 0.411761
H 0.719961 3.394985 -0.302412
H 1.145724 2.906404 1.359322
H -2.422451 0.276506 1.516566
H -1.681965 2.699283 -2.675532
H -0.247940 2.099166 -1.813765
H -1.320219 0.957056 -2.660141
H -4.475832 2.588113 -1.549887
H -4.363849 0.831745 -1.816954
H -4.897825 1.458884 -0.237776
H -2.337576 4.156630 0.089739
H -2.898564 3.185038 1.472961
H -1.163744 3.256691 1.083997
H -2.094563 -3.956911 0.424130
H -0.728463 -2.926822 0.925759
H -2.202974 -2.966099 1.901934
H -4.858027 -2.653297 -0.099033
H -4.738894 -1.455747 1.210224
H -5.046619 -0.917614 -0.459447
H -2.431651 -2.712771 -2.362251
H -2.828616 -0.989182 -2.573530
H -1.159261 -1.483052 -2.199514
H -0.696917 0.076111 3.593602
71
10-PH
C -1.876706 -0.034599 0.305778
Ge -0.253598 -0.043439 -0.836520
P -0.685056 0.037482 -2.968595
Si -2.953532 1.566450 0.258905
C -2.001491 3.083235 -0.380908
Si -2.875519 -1.671921 0.102852
C -4.136163 -1.762275 1.534699
C -4.525136 1.394694 -0.802707
C -3.456549 1.888635 2.074255
C -3.763004 -1.811341 -1.572125
C -1.706744 -3.180022 0.201923
C 1.543418 -0.015482 0.112714
Si 2.908741 -0.572100 -1.160465
C 3.276026 0.800566 -2.436268
Si 1.820873 1.845596 0.605876
C 3.630961 2.228561 1.082333
Si 1.625847 -1.157188 1.682036
C 3.087838 -0.676847 2.815950
C 1.428281 3.055571 -0.821618
C 0.717965 2.282970 2.104511
C 0.120179 -1.104997 2.863659
C 1.854298 -2.992371 1.208142
C 4.577464 -0.934332 -0.299484
C 2.422357 -2.162583 -2.093081
H -1.508275 -0.049797 1.342783
H -2.281175 -4.109622 0.041843
H -0.942701 -3.128877 -0.593883
H -1.182059 -3.275762 1.164796
H -4.689241 -2.717707 1.511609
H -3.634895 -1.689823 2.515582
H -4.876843 -0.946656 1.479674
H -4.098096 -2.853964 -1.715777
H -4.645250 -1.160252 -1.651675
H -3.080964 -1.565035 -2.402722
H -4.104693 2.778788 2.154932
H -4.004700 1.032419 2.501270
H -2.569641 2.066044 2.707678
H -2.643182 3.980192 -0.319825
H -1.092345 3.278939 0.206655
H -1.699352 2.952762 -1.432557
H -5.064856 2.358106 -0.809506
H -4.284852 1.137546 -1.847139
H -5.215185 0.627510 -0.415406
H 0.727956 3.373625 2.275502
H -0.329365 1.980405 1.950063
H 1.072301 1.797375 3.028459
H 3.685670 3.289654 1.386194
H 4.014283 1.620563 1.913243
H 4.309192 2.101261 0.223710
H 1.140708 4.035820 -0.403717
H 2.319945 3.207261 -1.449800
H 0.611399 2.724560 -1.479585
H 1.757870 -3.609876 2.118884
H 1.095717 -3.339037 0.490364
H 2.845736 -3.194205 0.773949
H 3.168047 -1.441447 3.609250
H 4.054662 -0.626909 2.296840
H 2.914975 0.291959 3.311746
H 0.436819 -1.588653 3.805454
H -0.207745 -0.085270 3.114774
H -0.747643 -1.664449 2.487482
H 3.155573 -2.344529 -2.899157
H 2.428474 -3.043118 -1.432687
H 1.426569 -2.092433 -2.556326
H 3.852810 0.370161 -3.273983
H 2.367097 1.257646 -2.852383
H 3.884648 1.607625 -1.996882
H 5.320303 -1.172350 -1.081900
H 4.957136 -0.071005 0.267827
H 4.533322 -1.795429 0.384573
H 0.685144 0.015810 -3.388160
96
11-PH
C -0.637219 -0.013379 -1.204020
C 0.438971 0.880631 -1.239879
C 1.331159 0.991017 -0.149373
C 1.094799 0.167144 0.974438
C 0.013551 -0.716773 1.014962
C -0.874916 -0.828063 -0.076237
N 2.412811 1.915945 -0.136238
Si 2.028934 3.637258 -0.478114
C 2.007407 3.980770 -2.352693
N -1.977581 -1.738250 -0.042393
Si -1.650036 -3.505932 -0.082322
C -0.144972 -3.901571 1.009972
Ge 4.215250 1.413052 0.255647
N 4.131972 -0.477911 0.054889
Si 3.799031 -1.213132 -1.527279
C 3.641763 0.156742 -2.844680
Ge -3.643514 -1.000272 -0.405428
N -3.716305 0.678877 0.361294
Si -3.481148 0.841620 2.126139
C -1.966983 1.915249 2.531451
C -3.159390 -4.418025 0.613012
C -1.276894 -4.015268 -1.872721
C 0.326293 4.023848 0.265107
C 3.371975 4.724612 0.313927
Si -4.308903 2.035528 -0.640859
C -6.209856 2.060653 -0.685791
Si 4.801572 -1.445164 1.380857
C 3.951983 -3.148298 1.450990
C -3.689874 3.685043 0.081202
C -3.609820 1.874419 -2.402205
C -5.047276 1.623329 2.883573
C -3.261067 -0.877082 2.913911
C 6.684953 -1.684408 1.214738
C 4.464702 -0.546115 3.032808
C 5.273299 -2.320843 -2.028451
C 2.239015 -2.297413 -1.559977
H 1.758671 0.254852 1.834024
H -0.161861 -1.318968 1.905390
H -1.301972 -0.102393 -2.065739
H 0.605844 1.485479 -2.131413
H -2.940533 -5.499032 0.671486
H -4.061302 -4.284226 -0.003193
H -3.393145 -4.068112 1.633157
H -2.132131 -3.797729 -2.534890
H -1.056402 -5.094704 -1.948024
H -0.399908 -3.465543 -2.254338
H -0.337491 -3.683944 2.073886
H 0.748046 -3.341028 0.698635
H 0.085345 -4.978538 0.926197
H 0.053297 5.080837 0.101411
H 0.303746 3.827053 1.349525
H -0.449199 3.394294 -0.197957
H 3.457420 4.541861 1.397978
H 3.114025 5.788662 0.168233
H 4.367005 4.559450 -0.130653
H 1.160791 3.492217 -2.863172
H 2.935842 3.625471 -2.831377
H 1.924416 5.065540 -2.544872
H -4.046260 4.510754 -0.560164
H -2.590063 3.729650 0.104514
H -4.055762 3.879546 1.101635
H -2.511259 1.974184 -2.396458
H -4.019444 2.669469 -3.049935
H -3.862823 0.904540 -2.862318
H -6.627631 2.142663 0.331635
H -6.611454 1.138383 -1.137843
H -6.584767 2.915419 -1.276456
H -4.927323 1.747972 3.974501
H -5.926540 0.978878 2.713011
H -5.275855 2.614690 2.459973
H -4.109236 -1.546195 2.685857
H -3.211714 -0.770605 4.012073
H -2.343041 -1.375659 2.570751
H -2.121406 2.970086 2.257466
H -1.075066 1.551556 1.998663
H -1.755420 1.876025 3.615300
H 5.102187 -2.756263 -3.029215
H 5.424887 -3.157837 -1.326162
H 6.213010 -1.744435 -2.065895
H 2.347848 -3.179785 -0.909947
H 2.058439 -2.661956 -2.587498
H 1.347413 -1.743347 -1.236880
H 4.552143 0.780690 -2.896529
H 2.786931 0.821695 -2.654085
H 3.501168 -0.300032 -3.840169
H 7.095849 -2.243808 2.074253
H 7.202509 -0.709972 1.172637
H 6.944129 -2.236886 0.296995
H 4.894722 0.471801 3.052987
H 4.914563 -1.103852 3.873271
H 3.383651 -0.456605 3.235195
H 4.143187 -3.750643 0.547754
H 2.859673 -3.045058 1.558247
H 4.324449 -3.722887 2.317693
P -5.087786 -2.019571 -1.671448
H -6.079180 -1.019523 -1.379609
57
12-PH
C 3.129487 2.505959 0.691833
Si 1.453909 1.905728 0.014885
N 1.277990 0.131087 0.155742
Si 2.699383 -0.934390 0.393096
C 2.172206 -2.753254 0.576319
C 1.364287 2.400084 -1.822519
C 0.093485 2.810102 0.989754
Ge -0.241801 -0.573876 -0.670059
N -1.783832 -0.046817 0.253765
C -2.013643 -0.629058 1.634004
C -0.818923 -1.527207 2.048701
C -2.913482 0.536002 -0.568618
C -2.321066 1.454002 -1.674046
C -3.775591 -0.540159 -1.282933
C -3.834816 1.458527 0.267881
C 3.896748 -0.784761 -1.078426
C 3.583672 -0.480223 2.022186
C -2.097834 0.475171 2.722611
C -3.262394 -1.545202 1.703898
H 3.215161 3.585357 0.472879
H 3.993014 2.004351 0.227725
H 3.207076 2.378970 1.783010
H 2.139657 1.870411 -2.401838
H 1.522895 3.485655 -1.951874
H 0.393498 2.147423 -2.278299
H 0.287708 2.758045 2.074810
H -0.894551 2.363514 0.809480
H 0.057856 3.877296 0.706830
H 4.198443 -1.338236 2.347579
H 4.247280 0.392288 1.934578
H 2.855143 -0.272992 2.824908
H 3.084669 -3.375535 0.603610
H 1.625556 -2.928412 1.517132
H 1.548409 -3.106208 -0.258883
H 4.803908 -1.395381 -0.922138
H 3.410333 -1.135951 -2.004533
H 4.219297 0.256743 -1.246206
H -4.578137 1.904980 -0.411340
H -4.385620 0.925861 1.052328
H -3.255433 2.271484 0.729476
H -4.483764 -0.047078 -1.970144
H -3.130721 -1.205968 -1.874562
H -4.356508 -1.150584 -0.581375
H -3.146748 1.952495 -2.205232
H -1.674349 2.226858 -1.234005
H -1.746070 0.887363 -2.421938
H -3.312294 -2.000868 2.706359
H -4.202922 -1.005202 1.540713
H -3.185288 -2.349949 0.957272
H -2.179013 -0.002456 3.713456
H -1.184051 1.083964 2.704163
H -2.961839 1.137221 2.601442
H -1.029150 -1.950492 3.043360
H -0.684610 -2.375756 1.355559
H 0.115023 -0.953549 2.112832
P 0.047873 -1.664045 -2.531570
H -1.332338 -2.059473 -2.603847
57
13-PH
C -3.153772 -0.941751 2.564730
Si -1.608745 -1.216384 1.486095
C -1.707817 -2.949296 0.704452
C -0.108754 -1.139678 2.651726
N -1.501539 -0.000011 0.172536
Ge -0.028495 -0.188123 -0.946033
N 1.541904 0.205272 -0.041950
Si 2.875843 -0.982912 -0.102923
C 3.999194 -0.695257 -1.609316
Si -2.978464 0.796808 -0.462376
C -4.258833 -0.510007 -0.992034
C -3.696069 1.946592 0.878030
C -2.585921 1.888927 -1.966827
Si 1.778885 1.846504 0.619337
C 1.793162 1.873799 2.520782
C 3.428608 2.544672 -0.033089
C 0.374400 2.985494 0.032385
C 3.899784 -0.830909 1.497896
C 2.163212 -2.744865 -0.161334
H -3.194577 -1.755987 3.310122
H -4.098708 -0.961030 2.000701
H -3.104372 0.010908 3.116134
H -2.576958 -3.024359 0.029339
H -1.804605 -3.734665 1.475052
H -0.810442 -3.177189 0.104951
H -0.187973 -0.283284 3.341201
H 0.840062 -1.036967 2.108585
H -0.067127 -2.058640 3.263391
H -4.467992 2.596578 0.429077
H -4.159901 1.407125 1.716994
H -2.910079 2.602858 1.289912
H -3.514497 2.408875 -2.264177
H -1.833672 2.660232 -1.735788
H -2.223729 1.312997 -2.831606
H -5.185950 -0.033229 -1.356678
H -3.852247 -1.122997 -1.814858
H -4.535432 -1.193957 -0.173003
H 4.735040 -1.552710 1.468898
H 4.332701 0.171219 1.643717
H 3.286382 -1.064857 2.383836
H 4.811531 -1.442829 -1.643340
H 3.426185 -0.779680 -2.548234
H 4.460287 0.305669 -1.586916
H 2.986679 -3.480972 -0.149953
H 1.522526 -2.946995 0.713125
H 1.563598 -2.923218 -1.068351
H 3.577099 3.575858 0.333502
H 4.300721 1.951174 0.285755
H 3.431461 2.574830 -1.135546
H 2.094751 2.874547 2.878549
H 0.789975 1.661642 2.923274
H 2.489372 1.137876 2.951267
H 0.542529 4.009136 0.410896
H 0.317643 3.043098 -1.067865
H -0.601761 2.640028 0.406286
P -0.186396 -0.924973 -2.982620
H 1.218297 -0.695944 -3.196273
93
14-PH
C -3.702095 0.210394 2.192183
C -4.032640 -0.199396 3.649580
Si -1.965261 -0.384712 1.665162
N -1.629630 -0.046465 -0.063548
Si -2.809014 0.473089 -1.303689
C -2.002863 1.322688 -2.828593
C -0.697913 0.813858 -3.479937
C -1.922829 -2.267102 1.997118
C -3.082799 -3.035457 1.323732
C -0.594654 0.448393 2.701478
C -0.340318 -0.156257 4.102634
Ge -0.095346 -0.928245 -0.671224
N 1.495946 -0.098301 -0.207382
Si 1.759304 1.670170 -0.037585
C 0.135604 2.647697 -0.194318
C 0.331095 4.126690 -0.604013
Si 2.948690 -1.171560 -0.288380
C 2.659064 -2.725962 0.776783
C 2.011569 -2.431043 2.149559
C 3.297253 -1.626745 -2.108511
C 4.190907 -2.881373 -2.257250
C 4.551048 -0.326714 0.349940
C 4.914966 -0.516702 1.841290
C -3.876438 -0.993231 -1.899608
C -5.010984 -0.586544 -2.870836
C -3.986287 1.828004 -0.641009
C -3.299233 3.054805 -0.002217
C 2.556199 2.032288 1.671526
C 2.123692 3.369039 2.318957
C 2.913054 2.242575 -1.460124
C 3.811804 3.446465 -1.089771
H -4.457022 -0.226902 1.516862
H -3.790607 1.303194 2.089678
H -1.953839 -2.423321 3.091240
H -0.964576 -2.697077 1.658796
H -0.805495 1.529823 2.789063
H 0.332774 0.369354 2.114219
H -4.563947 2.160624 -1.524187
H -4.725345 1.402417 0.054336
H -2.806636 1.294331 -3.588923
H -1.882413 2.393365 -2.582829
H -3.223547 -1.742623 -2.380054
H -4.308571 -1.494492 -1.014948
H 5.344268 -0.796336 -0.263459
H 4.586963 0.742049 0.088800
H 2.349562 -1.784665 -2.650040
H 3.784611 -0.759796 -2.593285
H 3.642120 -3.210261 0.923897
H 2.034967 -3.447447 0.226048
H 3.544120 1.406886 -1.804654
H 2.274391 2.507677 -2.322469
H 2.300647 1.203542 2.352408
H 3.653878 2.017041 1.581250
H -0.501061 2.156119 -0.937912
H -0.427786 2.588653 0.748892
H -0.642284 4.637963 -0.696462
H 0.927440 4.682760 0.135393
H 0.845133 4.206739 -1.575471
H 2.563527 3.484274 3.324441
H 2.449626 4.230468 1.714335
H 1.028589 3.429454 2.422182
H 4.415066 3.782537 -1.950386
H 3.212340 4.304214 -0.745352
H 4.507865 3.183220 -0.276104
H 4.419413 -3.091938 -3.315788
H 5.152814 -2.760580 -1.728420
H 3.689891 -3.769140 -1.838500
H 1.851012 -3.357355 2.727379
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P -2.051485 -1.591747 -1.726556
H -1.582303 -2.673952 -0.895516
19
31-PH
C -1.649862 1.267519 -0.944605
O -0.887094 0.030018 -0.796632
C -1.750565 -1.149488 -0.774249
C -2.829839 -0.987499 0.300252
O -3.587512 0.208093 0.086616
C -2.722721 1.346942 0.142293
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Cl 1.789884 -1.512571 -1.254916
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H -1.088555 -2.001296 -0.575040
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P 1.963594 2.096342 -0.026562
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72
35-PH
C 3.085584 1.325158 -0.240931
C 2.630459 -0.022921 -0.168515
C 3.558946 -1.098522 -0.140479
C 4.933938 -0.806719 -0.188081
C 5.393402 0.514122 -0.251303
C 4.470078 1.567213 -0.273531
N 1.236152 -0.295028 -0.120945
Ge -0.003070 -0.029812 1.243253
Si 0.004906 -0.537026 -1.371278
C 0.015096 0.749082 -2.756257
C 3.101227 -2.550789 -0.040528
C 3.579792 -3.379385 -1.254060
C 2.119218 2.507902 -0.258379
C 2.175539 3.288853 1.075005
N -1.228155 -0.281933 -0.126263
C -2.627880 -0.033809 -0.179398
C -3.539513 -1.122289 -0.126263
C -4.918592 -0.851763 -0.180882
C -5.397189 0.460232 -0.278401
C -4.489601 1.526020 -0.325649
C -3.101793 1.305064 -0.284136
C -3.059760 -2.564130 0.013897
C -3.504761 -3.160848 1.369217
C -2.151714 2.500340 -0.324176
C -2.407577 3.407011 -1.548983
C -0.003574 -2.279279 -2.105242
C -2.231393 3.314184 0.988332
C -3.547691 -3.442190 -1.160402
C 3.579471 -3.189628 1.283757
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H 1.333116 0.317716 3.406464
90
36-PH
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C 3.210067 -2.643726 0.199697
C 1.952415 -3.443273 0.537312
C 3.840101 -3.224353 -1.090722
N 2.898941 -1.208816 0.001320
Ge 4.303624 0.031834 -0.219606
N 2.865533 1.231852 -0.105436
C 3.076367 2.687627 0.029341
C 4.034496 3.198469 -1.073833
Si 1.592006 -0.004111 0.006831
N 0.273504 0.009591 -1.190279
C 0.303845 0.016428 -2.665460
C -1.133900 -0.087953 -3.212413
Si -1.021610 0.008864 -0.005791
N -2.348575 1.222338 0.082597
C -2.674094 2.669996 0.000098
C -1.402798 3.511743 0.053536
N 0.279187 -0.016720 1.194492
C 0.236445 0.052921 2.666855
C 1.635084 -0.251676 3.240484
Ge -3.693276 -0.047731 0.040935
P -5.855738 -0.278729 0.054303
N -2.304132 -1.237149 -0.052116
C -2.502871 -2.702996 -0.136181
C -3.343405 -3.053060 -1.386869
C -1.140522 -3.377950 -0.233934
C -3.232539 -3.204302 1.132551
C 1.742923 3.417070 -0.090295
C 3.691137 2.987738 1.419958
C -0.207535 1.467250 3.107051
C -0.774153 -0.986800 3.200635
C 0.947643 1.331219 -3.163742
C 1.134700 -1.186252 -3.168488
C -3.407009 2.966410 -1.331905
C -3.578536 3.066251 1.192565
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H 1.411762 -2.972798 1.371679
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H -4.517844 2.490760 1.193107
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H -3.669448 4.035383 -1.395044
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H 1.615168 -0.192091 4.340249
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H -1.783043 -0.781321 2.809791
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H -2.637401 -2.967639 2.027270
H -4.220476 -2.725329 1.231951
H -6.028646 1.148554 0.120639
46
37-PH
C 3.359821 1.219503 -0.152951
C 2.630454 -0.000004 -0.147548
C 3.359902 -1.219483 -0.152901
C 4.759448 -1.214125 -0.141360
C 5.459264 0.000092 -0.131900
C 4.759380 1.214251 -0.141389
N 1.235767 -0.000017 -0.170469
Ge -0.007557 0.000005 -1.620921
N -1.240078 -0.000012 -0.160712
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C 2.605026 -2.536362 -0.205584
F 1.755740 -2.685889 0.849118
C 6.971403 -0.000033 -0.046739
F 7.385844 -0.001853 1.250683
C 2.604836 2.536316 -0.205660
F 3.438460 3.606797 -0.199184
C -2.633404 0.000007 -0.119115
C -3.363033 1.219642 -0.109315
C -4.762085 1.214363 -0.071605
C -5.461436 0.000125 -0.043496
C -4.762167 -1.214184 -0.071538
C -3.363131 -1.219591 -0.109254
C -2.608519 2.536812 -0.161236
F -3.442492 3.607026 -0.144264
C -2.608750 -2.536840 -0.161129
F -1.858937 -2.638506 -1.302664
C -6.975591 -0.000020 -0.070992
F -7.438230 -0.002191 -1.352689
F 1.848737 -2.632079 -1.344577
F 3.438752 -3.606763 -0.199121
F 7.509994 -1.098093 -0.643094
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P 0.125883 0.000285 3.381330
H -1.316190 0.000260 3.404106
100
38-PH
C -3.384356 1.258279 -0.297081
C -2.664124 0.015748 -0.340148
C -3.384454 -1.231537 -0.299664
C -4.775194 -1.179498 -0.110322
C -5.496645 0.015299 0.015713
C -4.780373 1.208714 -0.106769
N -1.236681 0.015150 -0.352262
Ge -0.127532 0.014494 1.154921
N 1.271931 0.017457 -0.064122
C 2.698963 0.017335 0.011247
C 3.421832 -1.231367 0.004228
C 4.825109 -1.177857 -0.025627
C 5.557596 0.015535 -0.048682
C 4.832287 1.208649 -0.029227
C 3.423438 1.260540 0.002155
C 2.764263 -2.647564 0.051396
C 1.801427 -2.896800 -1.140260
C 7.096402 -0.037930 -0.091182
C 7.549137 -0.805157 -1.361548
C 2.767025 2.677691 0.049941
C 3.814846 3.825690 -0.034817
C -2.734745 -2.634408 -0.512632
C -1.627752 -2.962413 0.523445
C -7.016636 -0.036687 0.257064
C -7.300531 -0.811757 1.570867
C -2.735063 2.662585 -0.505494
C -1.627183 2.987965 0.530706
Ge 0.167892 0.017957 -1.636109
C 3.812099 -3.795255 -0.034274
C 2.036008 -2.861979 1.401892
C 7.742976 1.364906 -0.120952
C 7.617673 -0.783673 1.165567
C 1.803507 2.929060 -1.140958
C 2.038792 2.891620 1.400687
C -3.767709 -3.791272 -0.396050
C -2.170967 -2.729748 -1.954550
C -7.650284 1.366948 0.379871
C -7.700042 -0.773651 -0.925053
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C -3.767413 3.819949 -0.385025
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H -1.681727 -3.707286 -2.103625
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P -0.415015 0.011869 3.309819
H -1.834478 0.011407 3.048570
64
39-PH
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C 4.875600 0.670298 -1.740112
C 3.549681 0.726933 -1.286924
C 3.073154 -0.240232 -0.380733
C 3.931901 -1.270874 0.056907
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N 0.825430 -1.239962 -0.015436
C 0.941861 -2.379335 -0.928422
C 0.012564 -2.171530 -2.141135
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Ge -0.620802 -0.226664 1.023874
N -1.895128 0.221836 -0.276258
Si -3.397975 -0.735910 -0.305974
C -3.078254 -2.504427 0.326353
C 1.670982 1.835501 1.587289
C 2.194774 3.056051 0.806251
C 2.740902 1.243645 2.524597
Si -1.729444 1.808034 -1.059704
C -1.555990 3.165247 0.264859
C -0.232179 1.839880 -2.236993
C -3.266085 2.250368 -2.097834
C 0.614113 -3.672886 -0.162459
C -4.733800 0.081543 0.775551
C -4.042352 -0.937597 -2.092571
H 3.552177 -2.016097 0.758021
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P -0.956603 -0.671257 3.151698
H -2.379445 -0.579911 2.954601
78
40-PH
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C 2.461892 0.050529 -0.284733
C 3.024004 1.359494 -0.307592
C 4.404668 1.485656 -0.536513
C 5.217767 0.360694 -0.722212
C 4.655341 -0.918124 -0.662716
N 1.072441 -0.102284 0.005416
Ge -0.006588 -0.435703 1.663788
Cl -0.240702 -2.628104 1.860588
C 2.188067 2.611529 -0.048729
C 2.380900 3.081892 1.412087
C 2.727061 -2.513981 -0.270933
C 3.183954 -3.480290 -1.386737
N -1.105155 -0.160470 -0.013077
C -0.020329 0.004946 -0.784481
C 0.007619 0.113292 -2.318932
C 0.857334 1.310828 -2.808771
C -2.469954 0.184888 -0.227507
C -3.419152 -0.837901 -0.479520
C -4.761581 -0.464466 -0.664917
C -5.159155 0.876246 -0.593276
C -4.212128 1.867144 -0.308562
C -2.858230 1.545634 -0.105713
C -3.029427 -2.312762 -0.535459
C -3.618686 -3.062313 0.682690
C -1.871410 2.661035 0.236049
C -1.730718 3.668781 -0.928518
C 0.654303 -1.208052 -2.822445
C -1.393304 0.233248 -2.961170
C -2.275416 3.394385 1.535124
C -3.478321 -2.997006 -1.847432
C 2.504865 3.771100 -1.019734
C 3.144372 -3.066205 1.113453
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H 4.273034 -3.645541 -1.352317
H 1.129249 2.353090 -0.179178
H 1.734241 3.950549 1.620617
H 2.135004 2.283388 2.126837
H 3.429580 3.381597 1.575733
H 1.780588 4.587152 -0.864355
H 3.510244 4.181952 -0.833931
H 2.453701 3.452067 -2.071090
H -4.524225 2.910723 -0.232627
H -6.206273 1.146653 -0.746151
H -5.502896 -1.239496 -0.868353
H -1.934922 -2.384669 -0.471059
H -3.150044 -4.049265 -1.847870
H -4.576013 -2.986649 -1.945707
H -3.053561 -2.501772 -2.735068
H -3.297425 -4.116633 0.670172
H -3.279465 -2.608353 1.625047
H -4.720892 -3.033431 0.655884
H -0.883874 2.216155 0.417870
H -1.533504 4.176599 1.765902
H -3.260511 3.876548 1.423406
H -2.311559 2.693091 2.381326
H -0.969444 4.427475 -0.682643
H -1.436157 3.170586 -1.864929
H -2.686028 4.188175 -1.108544
H -1.252729 0.256391 -4.053390
H -2.032115 -0.621714 -2.713206
H -1.915146 1.149573 -2.657695
H 0.791469 1.345803 -3.908032
H 0.474184 2.260402 -2.411736
H 1.911646 1.211317 -2.530798
H 0.627334 -1.209947 -3.923919
H 1.697990 -1.286617 -2.497243
H 0.096845 -2.084669 -2.457066
P 0.101076 0.806966 3.462012
H -0.294637 -0.337459 4.237984
86
41-PH
C -3.386156 0.828147 -0.479236
C -2.480377 -0.188306 -0.062551
C -2.958921 -1.425423 0.454749
C -4.345425 -1.577839 0.636705
C -5.245579 -0.568718 0.277715
C -4.763049 0.613559 -0.295023
N -1.092382 0.066220 -0.242756
Ge 0.105659 -0.141918 -1.841584
Cl -0.345234 -2.244686 -2.365803
C -2.043337 -2.590679 0.818818
C -2.037128 -2.844552 2.343157
C -2.918392 2.104996 -1.176279
C -3.262227 2.028802 -2.682858
N 1.085049 -0.173915 -0.128388
C -0.049007 -0.029988 0.627690
N -0.131836 0.027026 1.989235
C 0.815832 -0.700096 2.901802
C 1.919103 0.197773 3.489555
C 2.433110 0.233550 0.106885
C 2.767144 1.572577 0.449731
C 4.124092 1.888112 0.650071
C 5.131618 0.934302 0.472891
C 4.792780 -0.354666 0.045899
C 3.452896 -0.724520 -0.159017
C 1.744512 2.703947 0.513360
C 1.833924 3.525147 1.818692
C 3.126049 -2.095244 -0.751098
C 3.354225 -2.050324 -2.281842
C -1.338698 0.722855 2.589278
C -1.446625 0.613217 4.121106
C -1.368954 2.202851 2.177179
C 3.932607 -3.251192 -0.120442
C 1.931888 3.646098 -0.701281
C -2.449610 -3.882513 0.072191
C -3.521024 3.385444 -0.555094
C 1.400595 -1.996184 2.316578
H -5.464384 1.388479 -0.609333
H -6.318457 -0.711499 0.424585
H -4.720573 -2.514922 1.052823
H -1.023687 -2.347397 0.496491
H -1.720610 -4.680659 0.288725
H -3.443013 -4.232456 0.397358
H -2.473715 -3.715389 -1.013456
H -1.359649 -3.678037 2.591345
H -1.707058 -1.953946 2.893827
H -3.048444 -3.109744 2.692038
H -1.823752 2.169916 -1.098173
H -2.896275 2.930815 -3.199070
H -2.782987 1.155629 -3.149300
H -4.353853 1.954615 -2.823630
H -3.096343 4.271959 -1.053436
H -4.614410 3.418182 -0.690999
H -3.307321 3.452514 0.522398
H 4.391861 2.910852 0.920922
H 6.177763 1.203865 0.633762
H 5.580262 -1.084799 -0.146191
H 2.060627 -2.299953 -0.580340
H 3.579209 -4.210873 -0.530434
H 5.007216 -3.168040 -0.350777
H 3.817270 -3.275850 0.974826
H 3.050154 -3.005672 -2.739292
H 2.772515 -1.239177 -2.747755
H 4.421237 -1.875148 -2.499930
H 0.735810 2.281357 0.446966
H 1.154415 4.428338 -0.693987
H 2.918095 4.136668 -0.653095
H 1.867409 3.094792 -1.650029
H 1.039543 4.288456 1.833057
H 1.727654 2.889191 2.708609
H 2.800533 4.049204 1.886957
H 0.177429 -1.022288 3.730597
H -2.232307 0.237043 2.183082
H 2.443556 -0.359796 4.283209
H 2.650271 0.488245 2.726283
H 1.494133 1.108625 3.935206
H 1.766422 -2.601959 3.160786
H 0.642026 -2.577460 1.778239
H 2.245814 -1.801383 1.654337
H -0.539305 2.754641 2.639448
H -1.314021 2.314402 1.087859
H -2.320000 2.644620 2.512494
H -2.309783 1.225381 4.423024
H -1.641976 -0.413284 4.464357
H -0.556981 1.002796 4.636461
P 0.596924 1.298620 -3.416102
H 0.180677 0.338750 -4.402629
100
42-PH
C -3.572641 -0.491238 -0.075890
C -2.374364 -0.458413 0.687002
C -2.404912 -0.223004 2.089281
C -3.649510 0.034692 2.692938
C -4.833881 0.044728 1.947550
C -4.790555 -0.229390 0.575449
N -1.149646 -0.761541 0.019165
Ge -0.132128 -2.473392 -0.077758
Cl -0.584580 -3.076754 -2.167508
C -1.159846 -0.252805 2.973674
C -1.187714 -1.478502 3.916311
C -3.568727 -0.888480 -1.550153
C -4.427279 0.033810 -2.442784
C -0.018371 0.002070 -0.047535
N 1.036613 -0.858704 -0.118340
C 2.406367 -0.654170 -0.460658
C 2.811785 -0.524348 -1.816264
C 4.182669 -0.356809 -2.086649
C 5.132986 -0.343389 -1.059825
C 4.720967 -0.518791 0.266673
C 3.362823 -0.682129 0.590738
C 1.834509 -0.593015 -2.987977
C 2.141019 -1.844837 -3.845305
C 2.964809 -0.934856 2.044210
C 3.544054 0.119335 3.012718
N 0.004621 1.367443 -0.057691
C 1.231024 2.099704 0.401596
C 0.905647 3.303021 1.316366
C 2.195674 3.872853 1.948966
C 3.239458 4.256672 0.879555
C 3.505360 3.078528 -0.077357
C 2.189619 2.580942 -0.712828
C -1.195200 2.080640 -0.611013
C -2.101726 2.798671 0.418410
C -3.405715 3.244073 -0.278886
C -3.106638 4.174890 -1.472736
C -2.122717 3.518995 -2.464505
C -0.831806 3.053962 -1.754267
C 1.870235 0.666321 -3.885148
C 3.404232 -2.354448 2.474178
C -1.012743 1.041312 3.808493
C -4.050396 -2.353864 -1.680268
H 5.462207 -0.536424 1.067787
H 6.191987 -0.213069 -1.293259
H 4.503673 -0.245625 -3.124113
H 0.816142 -0.696769 -2.592388
H 1.383055 -1.954132 -4.637338
H 3.131416 -1.748496 -4.320916
H 2.133916 -2.756711 -3.232276
H 1.176327 0.533917 -4.731269
H 1.575329 1.571994 -3.335767
H 2.878876 0.830766 -4.298033
H 1.868525 -0.889621 2.115784
H 3.092161 -2.546481 3.514126
H 2.946395 -3.118955 1.829521
H 4.501931 -2.447523 2.416978
H 3.177213 -0.072102 4.034327
H 4.645015 0.076448 3.037483
H 3.251553 1.139103 2.721586
H -3.684274 0.221483 3.767874
H -5.788859 0.247342 2.437399
H -5.716380 -0.251161 -0.001956
H -2.532776 -0.848993 -1.915016
H -4.353688 -0.296608 -3.491615
H -5.491155 -0.001186 -2.156530
H -4.093387 1.081319 -2.386115
H -3.985196 -2.684481 -2.729437
H -3.432599 -3.027320 -1.068345
H -5.098160 -2.441463 -1.346268
H -0.268622 -0.346941 2.338973
H -0.268945 -1.503849 4.526547
H -2.052446 -1.412541 4.597643
H -1.255001 -2.415364 3.345333
H -0.019310 1.073659 4.284912
H -1.140877 1.940264 3.189452
H -1.770351 1.075626 4.608285
H 1.777121 1.371302 1.015122
H 0.435489 4.095843 0.714214
H 0.196595 3.010293 2.099806
H 1.936809 4.748753 2.566476
H 2.627798 3.120545 2.629798
H 2.857118 5.114202 0.295990
H 4.174290 4.584117 1.363910
H 4.209198 3.375069 -0.871672
H 3.972480 2.243378 0.470771
H 1.726735 3.407385 -1.271993
H 2.401659 1.773269 -1.414365
H -1.802201 1.289544 -1.069471
H -0.312219 3.934971 -1.344922
H -0.153952 2.563003 -2.467625
H -1.866049 4.222247 -3.273662
H -2.603423 2.644279 -2.936719
H -2.658468 5.111719 -1.093646
H -4.040690 4.448281 -1.990961
H -4.057488 3.752347 0.450146
H -3.947580 2.348892 -0.623201
H -1.598154 3.690787 0.816031
H -2.328245 2.131889 1.256740
P 0.109864 -4.068655 1.405609
H -0.424599 -5.001791 0.451326
83
43-PH
C -4.960521 0.247135 2.216313
C -3.661946 0.326538 1.692327
C -3.413570 -0.069485 0.363761
C -4.477965 -0.523999 -0.440484
C -5.777325 -0.587018 0.082493
C -6.020029 -0.207919 1.413600
C -2.035304 -0.006385 -0.203211
N -1.353069 1.131943 -0.381831
Si -1.988714 2.801626 -0.511410
C -3.508858 2.787794 -1.650820
N -1.358171 -1.090097 -0.599542
Ge 0.198977 0.064013 -1.244559
Si 2.047000 -0.082996 0.294012
Si 2.735813 2.145560 0.624332
C 2.886338 3.043646 -1.056232
Si -1.721765 -2.835305 -0.564784
C -2.310179 -3.332032 1.172659
C -3.037700 -3.299278 -1.858034
C -0.088526 -3.663639 -1.040159
Si 1.433519 -0.949081 2.391969
C -0.314465 -0.332769 2.859885
Si 3.857751 -1.206781 -0.712616
C 3.364238 -2.801724 -1.636936
C 1.457721 -2.861897 2.469170
C 2.682228 -0.311126 3.697642
C -2.468545 3.491866 1.197377
C -0.610632 3.839401 -1.284058
C 4.728116 -0.031246 -1.944246
C 5.095912 -1.654897 0.683112
C 1.460430 3.024298 1.753204
C 4.449529 2.206191 1.481670
H -4.282301 -0.805024 -1.475097
H -6.599459 -0.929567 -0.549213
H -7.031000 -0.263805 1.822332
H -5.144817 0.542900 3.251180
H -2.835005 0.675961 2.309270
H -2.994300 -4.383882 -2.061957
H -4.059663 -3.063493 -1.521912
H -2.853767 -2.774652 -2.810792
H -0.180077 -4.763539 -1.030323
H 0.208873 -3.353292 -2.055198
H 0.730423 -3.385379 -0.360572
H -2.508046 -4.417549 1.219696
H -1.555507 -3.094499 1.939498
H -3.241840 -2.808352 1.442997
H -3.873906 3.815466 -1.824071
H -3.249397 2.353117 -2.631155
H -4.337921 2.201057 -1.224245
H -2.670362 4.575118 1.119231
H -3.377704 3.007721 1.587531
H -1.664455 3.359204 1.940035
H -0.981893 4.856405 -1.501275
H 0.262740 3.934146 -0.622208
H -0.271537 3.384941 -2.229397
H 4.255642 -3.252982 -2.108699
H 2.924551 -3.551715 -0.959684
H 2.627930 -2.590783 -2.429458
H 6.029367 -2.064662 0.257101
H 5.361570 -0.771291 1.287315
H 4.679751 -2.416071 1.365193
H 5.544675 -0.560045 -2.467801
H 4.023334 0.343321 -2.704683
H 5.165866 0.841656 -1.432063
H 2.932527 4.138432 -0.916133
H 3.808340 2.729509 -1.572033
H 2.041805 2.819789 -1.726896
H 4.771492 3.254630 1.617118
H 4.436734 1.728139 2.474967
H 5.218245 1.699445 0.874219
H 1.615060 4.117833 1.768491
H 0.434122 2.832150 1.406505
H 1.535221 2.659724 2.792159
H 2.419227 -0.687882 4.702501
H 3.707113 -0.648400 3.468827
H 2.694538 0.790180 3.741432
H 1.242527 -3.200527 3.498834
H 0.706579 -3.317219 1.805744
H 2.444880 -3.265307 2.186601
H -0.557593 -0.585522 3.907279
H -0.392596 0.759627 2.739486
H -1.072223 -0.797621 2.212155
P 0.335027 0.254123 -3.439507
H 1.774098 0.256339 -3.349991
83
44-PH
C -5.019881 0.188551 2.253509
C -3.741953 0.318611 1.690912
C -3.506044 -0.112142 0.370706
C -4.564933 -0.652010 -0.387165
C -5.844838 -0.765423 0.173608
C -6.073250 -0.352176 1.497160
C -2.146674 -0.004116 -0.230488
N -1.486187 1.150204 -0.390568
Si -2.153010 2.807757 -0.511254
C -3.672736 2.760438 -1.650246
N -1.460269 -1.063844 -0.674035
Ge 0.070429 0.119714 -1.303471
Ge 1.929864 -0.079914 0.282678
Si 2.576592 2.192767 0.689846
C 2.734406 3.118108 -0.973052
Si -1.740459 -2.823458 -0.649375
C -2.331672 -3.372286 1.071233
C -3.008783 -3.344495 -1.967544
C -0.050941 -3.546280 -1.102191
Si 1.294628 -1.031989 2.384146
C -0.455859 -0.431047 2.854143
Si 3.803282 -1.154220 -0.761171
C 3.340144 -2.726120 -1.736122
C 1.354378 -2.944124 2.400685
C 2.536953 -0.401157 3.697232
C -2.651629 3.492315 1.194905
C -0.789941 3.870593 -1.276789
C 4.648633 0.078890 -1.950305
C 5.029210 -1.607900 0.640751
C 1.244281 3.006449 1.798861
C 4.267117 2.263210 1.587980
H -4.381589 -0.959088 -1.416700
H -6.663246 -1.174360 -0.422463
H -7.068479 -0.448249 1.935903
H -5.192950 0.510310 3.282552
H -2.919114 0.731348 2.272718
H -2.900172 -4.421600 -2.186487
H -4.047303 -3.174386 -1.642090
H -2.843411 -2.795633 -2.909917
H -0.036409 -4.646172 -1.012181
H 0.203021 -3.282694 -2.141927
H 0.747073 -3.140608 -0.462447
H -2.474248 -4.467291 1.094884
H -1.604604 -3.111789 1.856348
H -3.294002 -2.902730 1.332799
H -4.083914 3.774548 -1.797648
H -3.398111 2.360212 -2.641017
H -4.473886 2.127810 -1.235047
H -2.855283 4.575130 1.114826
H -3.563809 3.005988 1.575114
H -1.854664 3.361960 1.945489
H -1.177607 4.880029 -1.500535
H 0.076055 3.983463 -0.607448
H -0.434838 3.418719 -2.217638
H 4.239211 -3.148639 -2.220321
H 2.906079 -3.504512 -1.088026
H 2.604271 -2.495990 -2.523722
H 5.975003 -2.000068 0.225349
H 5.272187 -0.727669 1.259719
H 4.611297 -2.381904 1.307333
H 5.497095 -0.402968 -2.468786
H 3.943262 0.440238 -2.716911
H 5.038354 0.957934 -1.410740
H 2.760204 4.211896 -0.819541
H 3.666896 2.826146 -1.482821
H 1.900911 2.887757 -1.655553
H 4.569257 3.311716 1.763830
H 4.236583 1.753774 2.565260
H 5.059251 1.786635 0.985692
H 1.352867 4.105131 1.834779
H 0.237548 2.776797 1.418482
H 1.304317 2.628690 2.834268
H 2.293645 -0.808451 4.695279
H 3.568178 -0.705239 3.450885
H 2.520920 0.698940 3.767301
H 1.143456 -3.322683 3.417419
H 0.619495 -3.394992 1.716985
H 2.352515 -3.313654 2.109525
H -0.716376 -0.721967 3.887508
H -0.517775 0.666557 2.777301
H -1.212851 -0.857162 2.179966
P 0.217725 0.356759 -3.493358
H 1.655276 0.399942 -3.386958
83
45-PH
C -4.727727 -0.684297 -0.377337
C -5.996006 -0.775770 0.212599
C -6.208104 -0.272865 1.507793
C -5.149838 0.332475 2.205931
C -3.883742 0.440375 1.612818
C -3.664720 -0.076232 0.320900
C -2.322142 0.003773 -0.317795
N -1.643200 -1.071807 -0.732032
Si -1.871648 -2.826166 -0.554686
C -2.614835 -3.238476 1.147187
N -1.670344 1.150023 -0.555595
Ge -0.127747 0.111896 -1.434920
Sn 1.839416 -0.079376 0.293204
Si 2.743427 2.317989 0.631524
C 3.001012 3.174802 -1.056269
Si -2.246007 2.839170 -0.597445
C -3.889620 2.902993 -1.547348
C -2.490177 3.538293 1.157757
C -0.893747 3.806847 -1.500424
Si 1.113594 -0.937876 2.613562
C -0.613799 -0.246818 3.056686
Si 3.724471 -1.391509 -0.895703
C 3.058332 -2.686942 -2.126081
C 1.083953 -2.846441 2.745311
C 2.393170 -0.271361 3.874158
C -2.982117 -3.498615 -1.942053
C -0.126130 -3.533527 -0.755761
C 4.778682 -0.110603 -1.846448
C 4.806899 -2.241520 0.437522
C 1.510400 3.320671 1.699156
C 4.415874 2.222579 1.562113
H -4.554398 -1.065593 -1.384144
H -6.817873 -1.238594 -0.337468
H -7.194182 -0.351210 1.970093
H -5.309741 0.720526 3.214068
H -3.057458 0.900894 2.152051
H -2.921217 -4.600627 -1.984414
H -4.041397 -3.229869 -1.798714
H -2.655500 -3.105854 -2.919676
H -0.085543 -4.605122 -0.494425
H 0.209061 -3.421580 -1.799188
H 0.597523 -2.996746 -0.121793
H -2.683437 -4.333575 1.275347
H -1.998377 -2.844853 1.971595
H -3.629231 -2.822774 1.256899
H -4.255976 3.941311 -1.631511
H -3.763455 2.505220 -2.568437
H -4.669654 2.308744 -1.044028
H -2.575756 4.638822 1.116107
H -3.407711 3.149461 1.627273
H -1.639304 3.298355 1.816980
H -1.211213 4.850691 -1.669767
H 0.044756 3.832893 -0.923988
H -0.670598 3.344051 -2.476132
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C -4.995002 -2.795582 -0.947184
C -6.094174 -2.620029 -0.090205
C -6.064302 -1.610700 0.886581
C -2.641376 -0.074185 0.298940
N -2.515374 1.152246 -0.223538
C -3.240191 1.779075 -1.347868
C -2.988087 0.990519 -2.654041
Ge -0.650061 1.415277 0.586706
N -1.534921 -0.387122 0.988705
C -1.334002 -1.368353 2.074816
C -1.701102 -2.808975 1.651555
Ge 0.872996 1.242413 -1.438711
N 1.519886 -0.652275 -1.012840
C 1.269689 -1.921908 -1.724543
C 2.081889 -1.964997 -3.039662
N 2.581950 1.139400 -0.359824
C 3.426769 2.104770 0.374953
C 3.422128 1.790074 1.887834
C 2.657302 -0.192952 -0.453035
C 3.809126 -1.040734 -0.023871
C 4.900601 -1.243141 -0.890384
C 5.965092 -2.070911 -0.503642
C 5.949944 -2.694422 0.755038
C 4.867270 -2.487386 1.625696
C 3.798376 -1.666459 1.237635
C 4.872975 2.107250 -0.173361
C 2.793541 3.490888 0.135225
C 1.593580 -3.167055 -0.866543
C -0.240815 -1.916585 -2.045087
C 0.172390 -1.307137 2.413453
C -2.155417 -0.953077 3.317490
C -4.757562 1.882338 -1.069574
C -2.658328 3.201868 -1.490859
H -3.007386 -2.111758 -1.479646
H -5.013198 -3.577765 -1.709097
H -6.969856 -3.265618 -0.183480
H -4.918978 0.017647 1.750430
H 4.912797 -0.745703 -1.861453
H 6.806571 -2.225128 -1.182281
H 6.779584 -3.337117 1.056732
H 4.852941 -2.966693 2.606738
H 2.951472 -1.508410 1.905518
H 5.438227 2.927934 0.297298
H 5.388006 1.162530 0.047187
H 4.867435 2.265398 -1.263886
H 3.990998 2.567275 2.423706
H 2.390701 1.782557 2.273520
H 3.897039 0.817879 2.084899
H 3.384956 4.264319 0.648405
H 2.773605 3.722574 -0.942740
H 1.766935 3.525723 0.532682
H 1.256079 -4.066265 -1.407225
H 2.670242 -3.263407 -0.677330
H 1.066430 -3.123112 0.097541
H 1.810816 -2.857428 -3.627957
H 1.872623 -1.066447 -3.641843
H 3.159976 -2.006604 -2.823596
H -0.525938 -2.851717 -2.552466
H -0.814765 -1.811947 -1.113494
H -0.493228 -1.071659 -2.707538
H 0.417210 -2.065548 3.174177
H 0.763039 -1.494987 1.504857
H 0.433627 -0.309381 2.799293
H -1.932656 -1.629976 4.159192
H -1.896238 0.076016 3.607976
H -3.233396 -1.009870 3.102901
H -1.398071 -3.502263 2.453114
H -2.780406 -2.924170 1.487226
H -1.170916 -3.091123 0.729206
H -3.460691 1.507545 -3.505299
H -1.905321 0.918939 -2.847246
H -3.408579 -0.023410 -2.585259
H -3.184896 3.737615 -2.296123
H -2.767006 3.759124 -0.548467
H -1.586969 3.157971 -1.744631
H -5.226425 2.495044 -1.856779
H -5.239815 0.895949 -1.066774
H -4.932355 2.367340 -0.096686
H -6.916892 -1.467680 1.553701
P -0.466668 2.846315 2.273378
H -1.755806 2.482080 2.815072
103
50-PH
C -4.958648 1.897735 1.081904
C -5.068859 1.298681 -0.188559
C -6.231204 1.498301 -0.955059
C -7.278176 2.283004 -0.450957
C -7.173447 2.865457 0.823260
C -6.011279 2.671139 1.589210
C -3.944818 0.460373 -0.683717
N -3.974158 -0.858939 -0.843760
C -4.977214 -1.872380 -0.444254
C -4.226356 -3.222948 -0.388597
N -2.700770 0.929230 -0.937255
C -2.243329 2.304985 -1.276526
C -1.287221 2.181969 -2.484139
Ge -1.926022 -0.888666 -1.168478
C -1.493603 -1.523515 0.632112
C -0.742245 -2.710521 0.973146
C -0.976571 -3.021830 2.354838
C -1.861761 -2.025206 2.890850
C -2.168249 -1.098685 1.837853
Fe -0.166686 -1.149500 2.162164
C 1.883334 -1.045406 2.205978
C 1.348563 0.092818 1.498204
C 0.465477 0.762799 2.429829
C 0.472447 0.054696 3.680676
C 1.348048 -1.074845 3.537594
Ge 1.627359 0.540964 -0.454461
N 3.288355 -0.660432 -0.601552
C 3.516760 -1.877143 -1.410447
C 2.288179 -2.775558 -1.163095
N 3.437117 1.465577 -0.079678
C 3.831602 2.653366 0.697216
C 4.995330 3.428486 0.036138
C 4.130969 0.359054 -0.359558
C 5.620895 0.273213 -0.408969
C 6.318298 0.733810 -1.541528
C 7.716967 0.641888 -1.593106
C 8.426885 0.099682 -0.508531
C 7.733839 -0.355069 0.625841
C 6.334641 -0.274060 0.673435
C 4.210172 2.239981 2.139906
C 2.583157 3.561681 0.741815
C 3.585198 -1.492838 -2.906636
C 4.789607 -2.654462 -1.000758
C -1.481433 2.878716 -0.062229
C -3.387191 3.265345 -1.675367
C -5.613579 -1.599647 0.938123
C -6.077721 -1.959642 -1.528494
P -1.120558 -1.555255 -3.103356
H 5.785824 -0.639451 1.543043
H 8.282575 -0.777460 1.470325
H 9.516118 0.031727 -0.547491
H 8.252322 0.995859 -2.476699
H 5.759286 1.165904 -2.373283
H 2.360852 -3.690488 -1.772164
H 2.225078 -3.056287 -0.100338
H 1.365647 -2.246112 -1.446472
H 4.771145 -3.639856 -1.493943
H 5.709348 -2.137254 -1.303034
H 4.814476 -2.809704 0.089390
H 3.699875 -2.395189 -3.529947
H 2.661629 -0.973145 -3.205900
H 4.447194 -0.831022 -3.087925
H 2.805789 4.479755 1.307546
H 2.271156 3.837903 -0.278051
H 1.750232 3.039908 1.238396
H 5.152431 4.378522 0.573366
H 5.931460 2.855409 0.067101
H 4.753713 3.654874 -1.014554
H 4.397422 3.137158 2.753551
H 3.391102 1.659561 2.590151
H 5.123703 1.627033 2.135507
H -6.298413 1.057722 -1.949985
H -8.174226 2.442454 -1.054148
H -7.992096 3.471939 1.215983
H -5.924151 3.124840 2.578565
H -4.047973 1.748763 1.664248
H -6.740732 -2.813242 -1.311721
H -6.688749 -1.045955 -1.543404
H -5.622942 -2.106587 -2.519996
H -6.253350 -2.456330 1.205731
H -4.830634 -1.499214 1.704029
H -6.236097 -0.695052 0.934597
H -4.947536 -4.034519 -0.205005
H -3.711934 -3.412079 -1.344115
H -3.481816 -3.220040 0.419611
H -2.929286 4.180087 -2.083378
H -4.019901 2.817044 -2.456560
H -4.020801 3.550294 -0.825940
H -1.085497 3.879990 -0.298265
H -2.149720 2.958862 0.810209
H -0.636922 2.222393 0.190562
H -0.880879 3.177273 -2.726867
H -0.450323 1.505453 -2.262257
H -1.829783 1.795604 -3.361080
H -2.799093 -0.217411 1.920448
H -2.186426 -1.950381 3.927286
H -0.517194 -3.834109 2.914864
H -0.107659 -3.267312 0.288587
H -0.137664 1.642231 2.214486
H -0.122149 0.296019 4.560256
H 1.525687 -1.842685 4.288959
H 2.554456 -1.780146 1.769589
H -0.523740 -2.689876 -2.444411
69
51-PH
C -2.943479 0.812756 -0.257649
C -2.031177 -0.224516 0.069251
C -2.388954 -1.582052 -0.180738
C -3.611182 -1.864220 -0.818686
C -4.477203 -0.834905 -1.208810
C -4.147373 0.490100 -0.916695
Ge -0.277143 0.163784 0.950568
C 1.459829 -0.108012 -0.177803
Si 2.856120 -0.962131 0.858991
C 4.415255 -1.302399 -0.197865
C -1.515345 -2.744895 0.298116
C -1.578324 -3.994042 -0.607831
C -2.700225 2.283583 0.085687
C -3.855796 2.870798 0.928871
C 1.676124 1.364861 -0.323884
N 0.580819 2.071902 0.065747
C 0.591380 3.417292 0.096013
C 1.713231 4.151706 -0.295558
C 2.850981 3.445783 -0.729413
C 2.837178 2.047319 -0.748120
Si 1.277140 -0.858351 -1.955323
C 1.454995 -2.754977 -1.955383
C -0.362564 -0.342384 -2.771802
C 2.663832 -0.177847 -3.084146
C 3.394441 0.206776 2.258431
C 2.189780 -2.599379 1.555683
C -1.897341 -3.129655 1.747328
C -2.469972 3.118854 -1.193002
H -0.322281 3.896878 0.448578
H 1.698820 5.241303 -0.258245
H 3.747860 3.986421 -1.039309
H 3.707925 1.478664 -1.068503
H 2.968764 -3.106626 2.151614
H 1.329274 -2.405508 2.216720
H 1.870934 -3.291393 0.759979
H 5.168886 -1.812671 0.428336
H 4.220546 -1.942643 -1.071650
H 4.878960 -0.370186 -0.563365
H 4.216632 -0.249410 2.837600
H 3.761882 1.166595 1.857151
H 2.570463 0.424474 2.955753
H 1.234129 -3.137531 -2.967474
H 2.479503 -3.067023 -1.698962
H 0.770987 -3.253268 -1.257658
H 2.584110 -0.674455 -4.067736
H 2.562324 0.906132 -3.254935
H 3.677113 -0.369725 -2.697867
H -0.274783 -0.454649 -3.867209
H -1.219456 -0.940061 -2.430076
H -0.600169 0.713407 -2.560514
H -3.891983 -2.899587 -1.016073
H -5.413870 -1.070028 -1.719790
H -4.835204 1.292603 -1.192361
H -0.464078 -2.405764 0.315884
H -1.259365 -3.957347 2.100807
H -1.767225 -2.275073 2.427201
H -2.949220 -3.459435 1.779570
H -0.795254 -4.708615 -0.307858
H -2.547511 -4.507638 -0.504134
H -1.433875 -3.737926 -1.668644
H -1.803015 2.347275 0.715580
H -3.624158 3.911395 1.211572
H -4.802600 2.875193 0.365457
H -4.002449 2.282840 1.848071
H -2.289125 4.177859 -0.941421
H -1.605404 2.741494 -1.760336
H -3.356235 3.072015 -1.846555
P -0.214005 0.255546 3.146692
H -1.653120 0.187904 3.178698
77
53-PH
C -3.800183 -1.491334 -0.134956
C -2.435665 -1.135126 -0.104670
N -1.484957 -2.109530 -0.079586
C -1.819230 -3.408036 -0.122225
C -3.151867 -3.831668 -0.166833
C -4.153600 -2.846839 -0.167775
C -1.813487 0.235885 -0.017208
Si -2.568063 1.698774 -1.063654
C -2.536199 3.358909 -0.108557
Ge 0.008286 -0.441820 -0.846862
C 1.847547 -0.217828 0.109646
Si 2.200179 -1.385554 1.607230
C 1.370543 -3.070097 1.289603
C 1.832174 1.255450 0.374376
C 2.674240 1.942716 1.280007
C 2.629644 3.339976 1.333377
C 1.760218 4.037195 0.478112
C 0.947781 3.285529 -0.380259
N 0.964244 1.943802 -0.415897
Si 3.258940 -0.394193 -1.259101
C 2.942971 0.808814 -2.698351
C 4.953095 0.180434 -0.575651
C 3.397180 -2.206936 -1.813899
Si -1.981368 0.585131 1.886920
C -1.647412 -1.023195 2.861168
C -0.914089 2.013728 2.558421
C -3.817057 0.974015 2.276096
C -1.659591 2.028371 -2.700714
C -4.405904 1.400121 -1.504526
C 4.050614 -1.767854 1.899591
C 1.636115 -0.583088 3.249920
H -4.565370 -0.721137 -0.127636
H -5.207520 -3.132102 -0.198323
H -3.394922 -4.894429 -0.199900
H -0.985947 -4.113690 -0.125130
H 1.364924 -1.362713 3.982355
H 2.462091 0.004262 3.685729
H 0.774013 0.085996 3.141899
H 4.118452 -2.408211 2.797811
H 4.521571 -2.312079 1.066511
H 4.648212 -0.862804 2.092628
H 1.855761 -3.850551 1.901458
H 0.298686 -3.065192 1.526825
H 1.470721 -3.354943 0.229117
H -1.558360 -0.803972 3.939054
H -2.489620 -1.721411 2.724192
H -0.734877 -1.542849 2.546582
H -3.918060 1.214306 3.349747
H -4.232698 1.818142 1.705936
H -4.447164 0.091243 2.079087
H -0.841584 1.916712 3.656223
H 0.108134 2.026695 2.157652
H -1.373707 2.989032 2.340823
H -2.859430 4.151388 -0.807142
H -3.220637 3.382133 0.752626
H -1.535902 3.626822 0.257344
H -4.751842 2.246467 -2.123995
H -4.553723 0.478568 -2.090668
H -5.059391 1.353412 -0.616969
H -2.084269 2.942681 -3.156299
H -0.579391 2.174221 -2.554963
H -1.764895 1.197284 -3.412908
H 3.357424 1.383777 1.918622
H 3.274038 3.881661 2.029563
H 1.709218 5.126739 0.478839
H 0.248371 3.768140 -1.066727
H 5.592908 0.401291 -1.448905
H 5.473156 -0.568195 0.037079
H 4.876055 1.113229 0.006623
H 3.667287 -2.869095 -0.974081
H 4.184970 -2.303500 -2.581792
H 2.449524 -2.564189 -2.247251
H 3.094998 1.847498 -2.358539
H 1.937555 0.729435 -3.135066
H 3.681711 0.607146 -3.495060
P -0.016101 -1.213467 -2.927760
H -1.451753 -1.339938 -2.886298
68
54-PH
C -3.265324 -1.186216 -0.936125
C -2.764966 -0.303574 0.060972
C -3.290222 -0.368404 1.384246
C -4.209488 -1.384491 1.708787
C -4.631262 -2.311463 0.750066
C -4.176997 -2.194338 -0.567135
Ge -1.308564 0.995090 -0.333255
N 0.085129 -0.022997 -1.437197
Ge 1.100087 -1.002266 0.140999
N 0.023933 0.489892 1.163557
C -2.986889 0.677899 2.463402
C -2.456642 0.050984 3.773562
C -2.911421 -1.066397 -2.421215
C -4.174368 -0.796088 -3.272682
C 2.965452 -0.116381 0.037520
C 4.067259 -1.006048 0.258828
C 5.388755 -0.514620 0.265697
C 5.660024 0.837869 0.047556
C 4.597203 1.715932 -0.183301
C 3.263570 1.262953 -0.190510
C 3.912289 -2.515463 0.508098
C 4.371073 -2.894205 1.935046
C 2.200410 2.325511 -0.465508
C 2.336573 2.919120 -1.886137
C 4.663452 -3.350100 -0.554938
C 2.200672 3.445569 0.599307
C -4.248910 1.528642 2.742885
C -2.171438 -2.324887 -2.933905
H 6.213917 -1.207485 0.444613
H 6.689564 1.204513 0.054456
H 4.799781 2.774571 -0.361732
H -0.453821 0.099663 1.980664
H 0.548094 1.309195 1.492554
H 0.620285 0.639505 -2.011682
H -0.318012 -0.703119 -2.086513
H -4.610177 -1.436493 2.723281
H -5.335574 -3.101284 1.021120
H -4.543801 -2.884365 -1.329620
H -2.266004 -0.185618 -2.566704
H -3.894151 -0.665226 -4.330837
H -4.883309 -1.636950 -3.206937
H -4.685570 0.116139 -2.928838
H -1.850670 -2.188542 -3.980136
H -1.290288 -2.566459 -2.315297
H -2.839015 -3.200621 -2.895521
H -2.228530 1.383086 2.087840
H -4.024955 2.305296 3.492615
H -4.594483 2.020285 1.820626
H -5.066202 0.897444 3.128274
H -2.171433 0.842007 4.486020
H -3.230787 -0.570202 4.251187
H -1.581743 -0.599243 3.601543
H 1.216092 1.861760 -0.418507
H 1.363742 4.136689 0.415872
H 2.094548 3.024778 1.614145
H 3.144286 4.014051 0.574118
H 1.509526 3.618867 -2.083986
H 3.291599 3.458172 -1.994893
H 2.317141 2.122632 -2.649896
H 2.850007 -2.791477 0.430926
H 4.489523 -4.425752 -0.384743
H 4.318452 -3.094741 -1.569802
H 5.749858 -3.170046 -0.509660
H 4.227009 -3.973542 2.110475
H 5.439006 -2.661933 2.078970
H 3.796522 -2.335825 2.691779
P -1.469044 3.126456 -0.856707
H -2.899759 3.044001 -0.704601
36
55-PH
C 1.426664 -3.192993 -1.482511
C 0.179964 -2.323647 -1.245163
N 0.288062 -1.379282 -0.063510
Ge 1.623855 0.166243 -0.736006
Cl 3.095444 0.323569 0.983255
C 0.613794 -2.218097 1.155416
C 0.500901 -1.550134 2.525786
Ge -1.416872 -0.159926 0.117163
N -0.061921 1.390258 -0.183358
C -0.406448 2.147705 -1.452325
C 0.561348 3.290927 -1.802098
Cl -2.358686 -0.434784 -1.883657
C -0.065289 2.386400 0.955620
C 0.178773 1.845454 2.365066
H -0.707835 -2.959040 -1.091728
H -0.007334 -1.716692 -2.140194
H 1.312642 -3.709416 -2.448308
H 2.340539 -2.577528 -1.531366
H 1.562369 -3.954390 -0.701708
H 1.645438 -2.575109 1.022000
H -0.054772 -3.096632 1.125202
H 0.832027 -2.286596 3.276030
H 1.151428 -0.674628 2.605288
H -0.534856 -1.273938 2.761598
H -0.414408 1.423249 -2.277267
H -1.435625 2.529965 -1.348843
H 0.343095 3.631157 -2.826350
H 0.456477 4.153803 -1.129322
H 1.609541 2.949481 -1.772891
H 0.710770 3.132615 0.734258
H -1.045445 2.893491 0.922780
H 0.043575 2.685935 3.064614
H -0.539943 1.068395 2.652070
H 1.198368 1.463621 2.481180
P -2.882143 -0.089958 1.767716
H -3.903460 -0.460384 0.826328
57
56-PH
C 1.129154 -1.605846 -2.659655
C 0.036940 -2.256644 -1.789722
N -0.501701 -1.294294 -0.828571
Ge 0.123082 -0.039448 0.621576
N 2.119958 0.182066 -0.048359
C 3.468777 -0.195556 0.380685
C 3.909499 0.639372 1.602094
C 0.557023 -3.505936 -1.049621
C -1.803609 -1.052838 -0.614235
N -1.943795 -0.064950 0.266142
C -3.117554 0.274375 1.073743
C -4.208036 1.020820 0.272185
C -2.907740 -1.813783 -1.313107
N 0.492427 1.576719 -0.494023
C 1.806282 1.343352 -0.615739
C 2.766379 2.291615 -1.294547
C -3.690157 -0.934800 1.845401
C -0.269374 2.648762 -1.127441
C -1.121699 2.100910 -2.291453
C -1.134645 3.354870 -0.066293
C 3.490097 -1.699767 0.696925
H -0.782774 -2.569145 -2.460216
H 1.494223 -2.328378 -3.407694
H 0.726460 -0.723871 -3.182774
H 1.969220 -1.279911 -2.031654
H 0.989617 -4.227173 -1.763180
H 1.328514 -3.217500 -0.321895
H -0.261791 -3.996886 -0.500275
H -3.894822 -1.498306 -0.964145
H -2.848684 -1.643034 -2.400760
H -2.793053 -2.895616 -1.140823
H -2.720793 0.975768 1.826546
H -4.979423 1.402919 0.960979
H -3.775379 1.871286 -0.275075
H -4.705363 0.360271 -0.455343
H -4.442773 -0.591859 2.574274
H -4.177599 -1.655458 1.169632
H -2.880465 -1.447378 2.385673
H 2.831286 3.235961 -0.730368
H 3.770429 1.855121 -1.365989
H 2.409643 2.533267 -2.308150
H 4.175953 -0.007005 -0.450814
H 4.477294 -1.989009 1.090746
H 2.722523 -1.931824 1.452426
H 3.288544 -2.291353 -0.209156
H 4.919047 0.340240 1.930337
H 3.926169 1.712714 1.351231
H 3.198586 0.489406 2.428928
H 0.444034 3.386305 -1.535485
H -1.672219 2.920195 -2.783482
H -0.480877 1.606080 -3.038864
H -1.843541 1.367182 -1.905922
H -1.744720 4.145930 -0.532357
H -1.803432 2.626409 0.412803
H -0.499512 3.802813 0.712747
P 0.405034 -0.345774 2.798085
H -1.014708 -0.339433 3.044755
67
57-PH
C 2.673280 -0.299418 0.132847
Si 4.181496 -1.372830 0.270602
C 3.920342 -3.059125 -0.600925
P 1.411911 -0.109978 1.320023
C 0.747426 -1.731518 1.972161
P 2.246313 0.811375 -1.178678
Ge -0.008049 1.358473 -0.012625
P -2.219291 0.708832 1.236686
C -3.489567 2.075105 1.323990
C 1.872182 0.785637 2.886056
C 3.387514 2.282987 -1.280659
C 2.567587 0.008955 -2.839144
C 5.695610 -0.536052 -0.546783
C 4.596695 -1.720674 2.106889
P -1.334771 -0.274864 -1.227863
C -1.865786 0.474308 -2.849266
C -2.591332 -0.474243 -0.031220
Si -4.221507 -1.323407 -0.310480
C -4.004277 -2.854100 -1.439870
C -0.543047 -1.874474 -1.777556
C -4.991179 -1.875756 1.350128
C -5.492974 -0.172487 -1.165747
C -2.419562 -0.039904 2.943121
H -2.643352 -0.144783 -3.326461
H -2.266352 1.479762 -2.651224
H -1.003499 0.561812 -3.530670
H -0.026813 -1.736536 -2.739915
H 0.188534 -2.204470 -1.025941
H -1.319721 -2.645508 -1.893046
H 3.639329 -0.224974 -2.951618
H 1.994784 -0.925834 -2.916086
H 2.270874 0.690606 -3.652926
H 4.435823 1.958724 -1.381297
H 3.112858 2.915806 -2.140404
H 3.269388 2.876154 -0.362191
H 2.678589 0.252939 3.414709
H 2.210520 1.797492 2.616859
H 0.992560 0.867410 3.546259
H 1.572608 -2.457178 2.051200
H 0.294885 -1.596282 2.966397
H -0.015242 -2.123738 1.283185
H -2.045409 0.665114 3.704530
H -3.476284 -0.264645 3.158346
H -1.845281 -0.974920 2.999659
H -3.254618 2.762505 2.153417
H -3.465004 2.639547 0.380486
H -4.500718 1.661481 1.475125
H 6.589530 -1.180681 -0.474483
H 5.524315 -0.335879 -1.618841
H 5.933644 0.426537 -0.063381
H 5.473433 -2.386550 2.191959
H 4.831277 -0.787421 2.646866
H 3.762576 -2.211862 2.637687
H -6.459284 -0.682009 -1.333195
H -5.689934 0.726938 -0.557070
H -5.123000 0.173556 -2.146602
H -5.922846 -2.443428 1.179318
H -4.304345 -2.515409 1.929226
H -5.250053 -1.007059 1.979857
H -3.599507 -2.575624 -2.429002
H -3.321532 -3.598537 -0.995678
H -4.974670 -3.350898 -1.615259
H 3.068130 -3.608040 -0.162595
H 3.701424 -2.919953 -1.674204
H 4.812320 -3.706614 -0.522980
P 0.017026 3.581582 -0.203436
H -1.227504 3.738956 0.507168
59
58-PH
C -2.595643 -0.462217 0.000625
P -2.350866 1.066217 0.864890
C -3.580112 2.380561 0.385051
P -4.078766 -1.490767 0.223871
C -4.459727 -2.085911 -1.526864
P -1.284131 -0.562123 -1.156392
Ge -0.070570 1.354590 -0.237580
P 2.315407 0.426670 -1.134036
C 2.846639 -0.679073 -2.551753
C -3.380510 -3.112595 0.906788
C -0.534842 -2.262931 -1.311438
C -1.712667 -0.167975 -2.926585
C -2.749598 0.846342 2.673726
P 1.197047 0.158464 1.445737
C 0.383209 -1.187594 2.441654
C 1.710872 1.385776 2.747219
C 2.466240 -0.448624 0.407558
P 3.734078 -1.555443 1.099252
C 3.660483 -3.071964 -0.029737
C 3.582513 1.795842 -1.297127
C 5.354339 -0.832146 0.455373
H 2.479641 0.937215 3.397699
H 2.122902 2.274677 2.246219
H 0.843699 1.689585 3.356276
H -0.080270 -0.778845 3.352556
H -0.389511 -1.676870 1.830842
H 1.157863 -1.918775 2.727510
H -3.794176 0.506155 2.773623
H -2.088038 0.087687 3.114488
H -2.626823 1.800269 3.211602
H -4.605931 1.990253 0.494260
H -3.455171 3.272305 1.020390
H -3.399563 2.667957 -0.660903
H -2.489257 -0.850099 -3.305559
H -2.078191 0.869088 -2.969949
H -0.810755 -0.251339 -3.555827
H -1.325883 -2.999568 -1.524796
H 0.194549 -2.276940 -2.135282
H -0.023679 -2.532819 -0.377308
H 2.696196 -0.149249 -3.506752
H 3.911702 -0.949602 -2.466016
H 2.250286 -1.602252 -2.551239
H 3.472987 2.292480 -2.275873
H 3.393863 2.541013 -0.509923
H 4.609629 1.410761 -1.197607
H -5.273276 -2.829664 -1.492853
H -4.793321 -1.232885 -2.138224
H -3.586599 -2.551559 -2.015885
H -4.190221 -3.856416 1.004295
H -2.584058 -3.537578 0.273236
H -2.965012 -2.923510 1.909703
H 6.189015 -1.499775 0.727964
H 5.350426 -0.709200 -0.640695
H 5.528011 0.151066 0.919749
H 4.426215 -3.801784 0.285072
H 2.670418 -3.544374 0.072869
H 3.824491 -2.824766 -1.090952
P -0.157735 3.515977 -0.777328
H 1.123368 3.490636 -1.437001
97
59-PH
C 2.302089 -3.495876 0.900530
C 2.101490 -2.457128 -0.030350
C 2.319664 -2.693878 -1.406680
C 2.736898 -3.958980 -1.837987
C 2.925508 -4.996560 -0.909879
C 2.705297 -4.763151 0.457341
P 1.514084 -0.799039 0.433224
C 1.403578 -0.723171 2.256947
C 0.503847 -1.574802 2.935521
C 0.339057 -1.453690 4.321787
C 1.050835 -0.475674 5.036821
C 1.933160 0.382177 4.360378
C 2.109460 0.264145 2.974303
Ge 0.418207 0.691558 -1.376334
N 2.155611 1.345903 -0.874390
N 2.755520 0.357573 -0.000728
C 4.088631 -0.045227 -0.316846
C 4.795543 -0.817148 0.629270
C 6.104603 -1.228915 0.353756
C 6.730676 -0.859346 -0.849184
C 6.027702 -0.074179 -1.776481
C 4.710041 0.333235 -1.521550
N -1.068156 1.352916 -0.413508
C -1.157385 2.350212 0.587640
C -2.378041 3.029463 0.810198
C -2.453828 4.032993 1.785037
C -1.322873 4.386832 2.541278
C -0.115783 3.703363 2.326343
C -0.036202 2.680197 1.373887
N -2.163914 0.465148 -0.552605
C -3.045443 0.675444 -1.647805
C -3.884943 -0.368095 -2.094530
C -4.755207 -0.158253 -3.171729
C -4.793533 1.077971 -3.835763
C -3.939432 2.106777 -3.406600
C -3.072503 1.915787 -2.323543
P -2.382653 -0.595826 0.850695
C -1.990708 -2.292123 0.215772
C -2.075981 -3.376583 1.121663
C -1.600375 -4.646163 0.762105
C -1.021288 -4.851370 -0.502583
C -0.940497 -3.784184 -1.408545
C -1.424955 -2.515326 -1.054213
C -4.223229 -0.636968 1.066999
C -4.820286 0.520348 1.613940
C -6.203166 0.568994 1.838256
C -7.005650 -0.545685 1.542498
C -6.417212 -1.707575 1.018148
C -5.035717 -1.752029 0.776588
C 2.477387 2.688458 -0.589412
C 1.819331 3.701384 -1.328214
C 2.079482 5.048743 -1.066580
C 3.012051 5.423248 -0.082160
C 3.685416 4.420301 0.629431
C 3.430432 3.061554 0.384992
H 1.097569 3.421118 -2.100228
H 1.547243 5.812835 -1.637502
H 3.213527 6.477151 0.117695
H 4.425242 4.689385 1.387483
H 3.973999 2.296796 0.936591
H 4.314472 -1.089868 1.569658
H 6.640235 -1.833579 1.089035
H 7.755372 -1.173817 -1.056256
H 6.503175 0.223478 -2.713761
H 4.157524 0.937961 -2.239035
H -0.063433 -2.324342 2.382591
H -0.356106 -2.116260 4.841821
H 0.910769 -0.376940 6.115206
H 2.483170 1.148804 4.910297
H 2.779156 0.938063 2.438622
H 2.152816 -1.899165 -2.135856
H 2.910124 -4.133434 -2.901786
H 3.247758 -5.983014 -1.250427
H 2.858108 -5.564676 1.183213
H 2.149359 -3.314461 1.964341
H -3.251022 2.769025 0.212837
H -3.402782 4.551808 1.941842
H -1.385657 5.177001 3.291977
H 0.772042 3.948936 2.912732
H 0.889840 2.126781 1.254624
H -3.842593 -1.341358 -1.612668
H -5.397745 -0.978507 -3.500011
H -5.467725 1.233158 -4.680152
H -3.942372 3.071963 -3.918298
H -2.401363 2.711406 -2.004645
H -2.509181 -3.224723 2.114724
H -1.672471 -5.472800 1.473055
H -0.627402 -5.832881 -0.772909
H -0.485836 -3.926338 -2.390167
H -1.345928 -1.693170 -1.764246
H -4.587833 -2.653658 0.355304
H -7.035356 -2.577685 0.784708
H -8.082339 -0.509690 1.722727
H -6.653337 1.474448 2.251674
H -4.199084 1.384943 1.858993
P 0.323746 0.075038 -3.473785
H -1.103300 -0.075196 -3.419302
87
60-PH
N 1.840302 2.744641 -0.587765
C 1.827320 4.137680 -0.483020
C 0.520327 4.501133 -0.273694
N -0.223505 3.317408 -0.268025
C 0.579692 2.228650 -0.463437
C 3.061148 4.977950 -0.589585
C -0.103861 5.845744 -0.070297
C -1.680337 3.279587 -0.177219
Ge 0.088512 0.291319 -0.965552
P 0.443298 0.207514 -3.207731
C 2.980269 1.945179 -1.038502
Si -1.940206 -0.592342 0.149710
Si -3.103252 0.505144 1.881554
C -1.931786 1.506581 3.025511
Si 1.426581 -1.292344 0.332425
Si -0.596462 -2.357110 1.002316
C -0.797632 -2.649647 2.890632
Si -3.485075 -1.110941 -1.543252
C -3.875257 0.531461 -2.448971
C -2.770120 -2.356470 -2.797845
C -5.106127 -1.813938 -0.792662
Si 2.836488 -2.555108 -1.061224
C 1.836429 -3.480046 -2.398116
Si 2.663652 -0.446159 2.151411
C 1.968589 1.224017 2.779303
C 4.064785 -1.378468 -1.940583
C 3.807053 -3.833265 -0.007641
C 2.657360 -1.707846 3.594406
C 4.513323 -0.191131 1.694236
C -0.881243 -4.038437 0.122504
C -4.476149 1.674636 1.212734
C -4.018999 -0.784507 2.965772
H -1.878109 -4.446355 0.367211
H -0.817928 -3.925455 -0.970403
H -0.124618 -4.780984 0.432747
H -1.793952 -3.072848 3.104590
H -0.040600 -3.359934 3.264365
H -0.697509 -1.714937 3.466642
H -5.832783 -2.058261 -1.588630
H -4.915722 -2.738391 -0.220212
H -5.587329 -1.092487 -0.110501
H -4.593329 0.372615 -3.273280
H -4.307342 1.280900 -1.764117
H -2.949508 0.946519 -2.882980
H -3.456088 -2.480130 -3.655796
H -1.801381 -1.988175 -3.179062
H -2.612247 -3.350769 -2.346741
H -4.983175 2.177198 2.056727
H -4.110457 2.456986 0.529800
H -5.238640 1.095529 0.665285
H -4.658377 -0.276525 3.710634
H -4.668609 -1.429748 2.350973
H -3.316233 -1.434158 3.511314
H -2.502985 2.142868 3.725475
H -1.310391 0.824476 3.630806
H -1.242366 2.152131 2.458564
H 4.467667 -4.447235 -0.646208
H 4.437521 -3.349086 0.758079
H 3.116905 -4.518797 0.514663
H 4.758874 -1.949227 -2.583620
H 3.507579 -0.675768 -2.583192
H 4.671416 -0.794368 -1.228037
H 2.519166 -3.960801 -3.122113
H 1.198094 -4.266158 -1.962164
H 1.189649 -2.777341 -2.950879
H 5.084256 0.080330 2.600799
H 4.952714 -1.116657 1.286510
H 4.674221 0.606158 0.950869
H 3.334262 -1.371608 4.400593
H 1.652249 -1.837971 4.025051
H 3.006696 -2.698279 3.255102
H 2.555841 1.598273 3.637383
H 1.994136 1.990833 1.987408
H 0.920497 1.123427 3.104926
H 3.897405 2.539563 -0.947925
H 3.058635 1.045721 -0.419447
H 2.792211 1.632258 -2.081149
H 3.816747 4.686141 0.159850
H 3.528023 4.892236 -1.585516
H 2.807757 6.034429 -0.423499
H 0.670390 6.625588 -0.086109
H -0.836327 6.079238 -0.862510
H -0.632262 5.907625 0.896809
H -2.012892 3.537335 0.838207
H -2.108560 3.992664 -0.896904
H -2.017889 2.267960 -0.423655
H -0.637597 1.125043 -3.494925
35
61-PH
C 3.314060 -1.251889 1.269991
C 2.764013 -0.560684 0.000152
N 1.276207 -0.640371 -0.000556
C 0.639009 -1.885650 -0.001181
C -0.721417 -1.865824 -0.001210
N -1.324468 -0.601395 -0.000670
C -2.808553 -0.484877 0.000123
C -3.376469 -1.161848 1.270207
C 3.315107 -1.251545 -1.269428
C 3.197241 0.915941 0.000494
Ge -0.000872 0.705650 0.000551
C -3.208008 1.000392 0.000499
C -3.377592 -1.161471 -1.269669
H 1.237853 -2.792593 -0.001389
H 4.415017 -1.188377 -1.279728
H 3.031021 -2.314513 -1.301424
H 2.921616 -0.756464 -2.170554
H 4.413967 -1.188793 1.281220
H 2.919861 -0.757028 2.170934
H 3.029882 -2.314848 1.301474
H 4.296327 0.972678 0.000979
H 2.822508 1.437343 -0.894081
H 2.821746 1.437189 0.894844
H -4.305486 1.082189 0.000957
H -2.819549 1.511514 0.895173
H -2.820234 1.511769 -0.894317
H -4.474400 -1.070619 1.281559
H -3.119294 -2.231482 1.301166
H -2.969114 -0.677853 2.171197
H -4.475536 -1.070302 -1.279962
H -2.971094 -0.677151 -2.170868
H -3.120379 -2.231078 -1.301218
H -1.347846 -2.753904 -0.001370
P 0.242612 2.891232 -0.000909
H -1.184670 3.060135 0.000122
67
62-PH
C 3.104033 1.340072 -0.232881
C 2.686173 -0.003178 -0.404532
C 3.600888 -1.085094 -0.364122
C 4.956509 -0.792965 -0.129792
C 5.390472 0.527477 0.051996
C 4.471005 1.581688 -0.001810
N 1.291088 -0.281367 -0.591900
Ge 0.003236 -0.325773 0.739670
N -1.283167 -0.279351 -0.586038
C -0.680540 -0.152799 -1.846639
C 0.682725 -0.150634 -1.849652
C 3.116537 -2.525290 -0.521040
C 4.103296 -3.417346 -1.304613
C 2.118943 2.507477 -0.256441
C 1.974379 3.124643 1.154087
C -2.678814 0.001010 -0.399120
C -3.596645 -1.078021 -0.363068
C -4.952252 -0.781999 -0.133209
C -5.383347 0.539452 0.046529
C -4.460553 1.590889 -0.004132
C -3.093392 1.345523 -0.229328
C -3.119485 -2.520657 -0.517694
C -2.874249 -3.147646 0.876109
C -2.107486 2.512027 -0.253022
C -2.493795 3.564896 -1.316273
C -1.990457 3.155035 1.148337
C -4.088948 -3.394914 -1.342339
C 2.818762 -3.137611 0.869038
C 2.525143 3.581611 -1.290508
H 1.319829 -0.057084 -2.726331
H -1.321185 -0.064173 -2.721159
H 5.680431 -1.608245 -0.089932
H 6.447532 0.733381 0.235044
H 4.811636 2.609223 0.141324
H 2.170696 -2.501771 -1.082745
H 2.443179 -4.169000 0.760328
H 3.738075 -3.164792 1.478012
H 2.062716 -2.549662 1.413301
H 3.646439 -4.403875 -1.483940
H 4.365079 -2.968940 -2.276410
H 5.035236 -3.582453 -0.739467
H 1.131934 2.128633 -0.557824
H 1.246830 3.952825 1.134247
H 1.624172 2.373462 1.879662
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63
74-PH
C 1.956170 -3.098575 0.286608
Si 2.774460 -1.422823 -0.104772
C 1.492275 -0.019986 -0.462996
Ge -0.002346 -0.119336 0.866396
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C -0.714059 0.426800 -1.742733
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Si -2.685105 1.509599 0.112643
C -1.758553 3.173994 -0.012618
Si 2.384528 1.707379 -0.453191
C 1.549032 2.964691 -1.625148
Si -2.502482 -1.583852 -0.654469
C -1.388091 -3.126297 -0.605281
C -3.817865 -1.814110 0.704451
C -3.351810 -1.576206 -2.365444
C 2.428244 2.420436 1.310407
C 4.171318 1.607992 -1.129641
C -4.210152 1.599448 -1.032451
C -3.260664 1.362987 1.920797
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97
75-PH
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Si 0.534210 -2.847053 0.992209
C 1.228384 -4.546703 0.413744
Si 1.768745 -1.040510 0.081465
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C 4.374730 1.169880 1.125856
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P 0.784782 2.834613 -0.090670
C 1.392383 3.734460 1.449666
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Si -2.129201 -0.296828 0.007137
Si -3.909744 -0.099768 -1.537058
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Si -1.700785 -2.603863 0.285480
C -1.899346 -3.493389 -1.406363
Si -2.849571 0.632160 2.049757
C -4.551594 -0.100647 2.541287
Si 3.091518 -1.794853 -1.722828
C 4.391548 -3.075479 -1.132992
C -2.888279 -3.414607 1.566018
C 1.982354 -2.612610 -3.044650
C 4.053323 -0.334685 -2.507477
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C -1.639101 0.266102 3.486486
C -3.078941 2.528732 1.915950
C -3.489959 -0.637843 -3.316959
C -5.299593 -1.273194 -0.921130
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C -0.535934 3.966272 -0.774932
C -0.098321 5.401743 -1.119984
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78
76-PH
C -1.238656 -1.051797 -0.726834
C -0.896499 -0.229860 0.384186
C -1.942680 0.490566 1.021793
C -3.272112 0.246223 0.589340
C -3.614326 -0.591333 -0.478003
C -2.555799 -1.228697 -1.150257
Ge 1.056982 -0.381404 0.855028
N 0.884311 -2.254725 -0.536795
C 2.117270 -2.674207 -1.231216
C -1.811199 1.592778 2.115306
C -0.377633 2.032745 2.487014
C -5.063206 -0.809232 -0.948163
C -6.096141 -0.064802 -0.073642
C -0.126069 -1.743936 -1.491756
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C 1.660835 1.592057 -1.373647
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C 4.324097 0.747289 -1.720790
C 3.574568 0.225695 -0.649695
C 0.283945 2.243898 -1.217574
C 0.429425 3.761893 -0.955406
C 4.297608 -0.682637 0.347784
C 5.357894 -1.615424 -0.279526
C -2.536465 2.879624 1.614180
C -2.488914 1.089252 3.418035
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C -5.196784 -0.292256 -2.405378
C -5.398280 -2.323084 -0.912150
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C -0.641901 1.982732 -2.425084
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P 1.498507 -1.195383 2.865930
H 2.875669 -0.800043 2.843222
77
77-PH
C 2.132626 2.151562 -0.031055
C 1.135661 1.228291 0.413474
C 0.371877 1.556631 1.582819
C 0.503434 2.841260 2.148904
C 1.407934 3.778342 1.642366
C 2.247122 3.411148 0.587065
Ge 0.655916 -0.266890 -0.839201
C -0.802229 -1.429619 -0.195178
C -0.422693 -2.699215 0.284599
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C -3.078856 -1.831190 0.546655
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N 1.960304 -2.038695 0.121299
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C 2.984835 -2.613979 2.426309
C -2.532784 0.327427 -0.748174
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C -6.217889 -0.232036 -1.263048
C -0.460300 0.550741 2.391519
C -1.911360 0.985680 2.695043
C 3.171101 1.818108 -1.107719
C 4.583825 1.754566 -0.477660
C -4.157499 2.116141 -0.909668
C -3.730017 3.013194 0.262329
C 0.266608 0.269998 3.734657
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99
79-PH
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C -1.685454 -0.842704 0.184335
C -2.335114 -0.802669 -1.080650
C -3.645819 -0.341474 -1.221518
C -4.390648 0.070438 -0.101569
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O -0.232161 -0.907103 -2.209608
C 0.575175 -1.142216 -3.399744
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C -5.818876 1.808235 -1.234641
C -1.891353 -0.337762 2.788108
C -2.056040 1.113909 3.324708
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105
80-PH
C -3.155416 -0.763092 -0.509691
C -1.778375 -0.406069 -0.287999
C -1.460708 0.983260 -0.153969
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81-PH
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48
82-PH
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C -1.896315 0.838426 -0.033678
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O -0.486983 -2.363531 -0.591599
C -0.819543 -2.865002 0.692408
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C -3.624508 0.194525 -1.756250
C 1.795031 2.059048 -0.005739
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44
83-PH
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35
84-PH
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103
85-PH
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C -1.455242 -3.425697 -0.042090
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C -2.756638 -4.385792 1.786883
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O -3.297217 1.049309 0.127330
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C -5.551457 2.113386 -1.278803
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50
86-PH
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C -2.977243 2.107920 -0.710189
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N -2.155225 -0.044584 -0.077178
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Si -0.071737 1.492668 -1.044221
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118-PH
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121-PH
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F 0.877556 -0.963456 -3.482275
F -0.385357 -1.503882 -1.781101
H -4.871687 0.076460 -0.809118
H -2.562738 -2.626105 1.590128
H 2.878291 -1.850011 -2.379905
H 4.669529 -0.138614 1.146385
H 0.153965 3.678535 -1.587908
97
2-PH(TS)
C -2.627239 -0.588919 0.023359
C -1.387187 -0.841348 -0.646640
C -0.932680 0.143232 -1.588897
C -1.498681 1.424644 -1.580224
C -2.565854 1.770591 -0.735465
C -3.156106 0.724531 -0.024355
Ge 0.021736 -2.189939 0.015854
P 0.063483 -4.414562 -0.204322
C -0.010185 -0.180866 -2.792699
C 0.565834 -1.604243 -2.744104
C -3.075989 3.219408 -0.685229
C -1.904878 4.139482 -0.253680
C -3.604795 -1.634813 0.651993
C -4.049967 -1.257717 2.091035
C 1.420527 -0.818152 0.687719
C 0.937498 0.173388 1.610435
C 1.461379 1.471941 1.569518
C 2.517622 1.832812 0.717859
C 3.144255 0.789088 0.036089
C 2.656024 -0.540863 0.016078
C 0.031092 -0.144213 2.829533
C -1.153425 0.842666 2.975537
C 3.665236 -1.565202 -0.595690
C 4.929800 -1.503983 0.319934
C 2.973497 3.297258 0.625621
C 1.769359 4.156762 0.160844
C -0.904839 -0.116047 -4.065328
C 1.149477 0.832122 -2.953434
C -4.867507 -1.630350 -0.268115
C -3.116919 -3.095028 0.675360
C -3.572725 3.647025 -2.090855
C -4.234126 3.407164 0.319202
C 3.220882 -3.038026 -0.590569
C 4.094298 -1.200983 -2.042984
C 3.445767 3.788183 2.018760
C 4.128091 3.497501 -0.380362
C -0.513716 -1.579580 2.822191
C 0.934414 -0.024595 4.092086
H 1.060026 2.224223 2.249034
H 4.060396 1.002812 -0.509149
H -1.121970 2.172776 -2.278390
H -4.077683 0.921635 0.517981
H 4.092278 -3.670061 -0.829794
H 2.825379 -3.349154 0.384321
H 2.456117 -3.265218 -1.343202
H 4.854666 -1.923893 -2.381479
H 3.244712 -1.248324 -2.737736
H 4.535401 -0.195338 -2.113057
H 5.685175 -2.213520 -0.057015
H 5.378816 -0.500112 0.341970
H 4.666668 -1.788233 1.351308
H -1.118401 -1.765638 3.724366
H -1.207673 -1.732033 1.979147
H 0.292111 -2.329477 2.795935
H -1.747423 0.576809 3.865911
H -0.801800 1.876864 3.109819
H -1.806179 0.810479 2.095635
H 0.347159 -0.272238 4.993072
H 1.787686 -0.718215 4.024513
H 1.327124 0.997251 4.202041
H 2.063859 5.217911 0.097117
H 1.420293 3.827044 -0.830782
H 0.925239 4.071596 0.861009
H 3.748010 4.847518 1.962651
H 2.643403 3.700317 2.767636
H 4.307852 3.195966 2.365794
H 4.376727 4.568558 -0.444530
H 5.034168 2.954785 -0.065862
H 3.843269 3.146879 -1.385599
H 1.193004 -1.796960 -3.629140
H 1.254594 -1.724648 -1.889187
H -0.221585 -2.373778 -2.719539
H -0.304539 -0.373897 -4.954691
H -1.742276 -0.827267 -3.985800
H -1.319166 0.893503 -4.205433
H 1.754937 0.564184 -3.835384
H 0.770107 1.853487 -3.109600
H 1.798096 0.834837 -2.070011
H -3.918274 4.694285 -2.066192
H -2.769916 3.568697 -2.840318
H -4.410780 3.009315 -2.415495
H -2.239908 5.190002 -0.223107
H -1.540969 3.856041 0.746968
H -1.059610 4.064344 -0.953647
H -4.524985 4.469067 0.348707
H -5.118804 2.818717 0.026943
H -3.932414 3.101873 1.334272
H -5.601873 -2.356563 0.118594
H -5.347322 -0.641406 -0.308261
H -4.591899 -1.923395 -1.293623
H -4.790559 -1.996087 2.440000
H -3.202133 -1.267281 2.789494
H -4.520296 -0.264212 2.141784
H -3.971026 -3.746010 0.926085
H -2.709334 -3.414980 -0.292403
H -2.349658 -3.281953 1.437077
H -0.535996 -4.532613 1.099593
85
3-PH(TS)
C -1.539835 -2.583369 1.688954
C -2.613139 -1.667454 1.725866
C -3.551551 -1.766107 2.774565
C -3.392396 -2.725869 3.780817
C -2.302197 -3.615275 3.750111
C -1.381180 -3.546549 2.696593
C -2.750121 -0.606533 0.693594
C -1.651468 0.226326 0.326092
C -1.864914 1.215913 -0.676841
C -3.131819 1.351947 -1.273527
C -4.216108 0.521181 -0.925987
C -3.999085 -0.452688 0.066662
Ge 0.008390 0.099479 1.445514
P 0.049548 0.027189 3.657434
C -0.825877 2.208205 -1.096794
C 0.360164 1.837823 -1.763975
C 1.300940 2.806713 -2.144450
C 1.068090 4.163984 -1.874486
C -0.118783 4.549643 -1.229519
C -1.057936 3.580183 -0.848306
C -5.536307 0.661662 -1.588702
C -6.732603 0.399551 -0.882254
C -7.979877 0.526851 -1.507762
C -8.059039 0.919552 -2.854197
C -6.878968 1.184153 -3.568768
C -5.631752 1.056275 -2.942800
C 1.640937 -0.177934 0.308166
C 2.758043 0.656257 0.612732
C 4.003490 0.434030 0.000359
C 4.199610 -0.612758 -0.920181
C 3.097922 -1.442814 -1.206773
C 1.833571 -1.240606 -0.622042
C 5.515815 -0.832505 -1.569224
C 5.600632 -1.339231 -2.886282
C 6.843611 -1.549050 -3.498242
C 8.030476 -1.255432 -2.806679
C 7.962040 -0.750011 -1.497777
C 6.718817 -0.541322 -0.885973
C 2.647987 1.794180 1.565379
C 3.563327 1.919700 2.632488
C 3.440240 2.965903 3.553753
C 2.410269 3.915888 3.417232
C 1.513309 3.817117 2.345497
C 1.633843 2.765347 1.424396
C 0.782359 -2.249823 -0.962200
C -0.419311 -1.916275 -1.619869
C -1.377252 -2.901082 -1.904312
C -1.145454 -4.238440 -1.548588
C 0.058798 -4.589766 -0.916618
C 1.014776 -3.604599 -0.630759
H -4.802973 -1.142462 0.330214
H -3.276136 2.140270 -2.014924
H 4.821906 1.123207 0.216743
H 3.225584 -2.286912 -1.887351
H 4.339917 1.162827 2.757914
H 4.137396 3.034070 4.391690
H 2.316501 4.728141 4.141257
H 0.721224 4.556905 2.213407
H 0.971038 2.728140 0.564386
H 1.944231 -3.869699 -0.122454
H 0.249299 -5.628009 -0.636141
H -1.898052 -5.001122 -1.758859
H -2.309887 -2.614901 -2.394317
H -0.623189 -0.885715 -1.897056
H 6.674029 -0.173781 0.141146
H 8.879137 -0.526441 -0.948184
H 8.999502 -1.418722 -3.283066
H 6.885222 -1.934245 -4.519536
H 4.681961 -1.545526 -3.439085
H -4.375629 -1.051320 2.819964
H -4.109374 -2.770838 4.603571
H -2.179043 -4.356702 4.542305
H -0.541492 -4.242442 2.645874
H -0.863204 -2.584525 0.837855
H -6.679712 0.118617 0.171504
H -8.891872 0.327418 -0.940661
H -9.031186 1.018530 -3.341812
H -6.928969 1.481790 -4.618553
H -4.717584 1.237978 -3.511581
H -1.975810 3.874122 -0.334788
H -0.309470 5.603423 -1.014861
H 1.806917 4.915445 -2.160388
H 2.220989 2.493419 -2.641585
H 0.566211 0.791504 -1.973222
H 0.008268 1.469052 3.686419
101
4-PH(TS)
C -3.621011 -0.577770 1.120021
C -2.784021 -1.720036 1.209278
C -3.242752 -2.976625 0.736433
C -4.470292 -3.037155 0.059108
C -5.289279 -1.903852 -0.096816
C -4.864677 -0.694730 0.474759
C -1.515633 -1.590582 1.991122
C -0.384535 -0.839613 1.529741
C 0.652926 -0.551401 2.457306
C 0.602133 -1.098396 3.761337
C -0.466737 -1.893846 4.176081
C -1.536009 -2.108225 3.296122
C 1.800928 0.385529 2.240107
C 1.568627 1.774406 2.408593
C 2.670171 2.643754 2.499239
C 3.990270 2.165791 2.462133
C 4.195935 0.785306 2.301753
C 3.125287 -0.114056 2.178381
C 0.162024 2.305857 2.605909
C 3.386402 -1.597902 2.004937
C 5.165967 3.117842 2.537218
Ge -0.112780 -0.799867 -0.462665
P -0.661844 -2.635907 -1.575478
C -2.465367 -4.250272 0.995895
C -6.595465 -1.985683 -0.861336
C -3.241730 0.730501 1.787568
C 0.538687 0.713886 -1.636648
C 1.722946 0.510881 -2.406468
C 1.957980 1.285968 -3.554828
C 1.045181 2.265602 -3.968105
C -0.094872 2.496607 -3.195925
C -0.360039 1.734022 -2.036486
C 2.828474 -0.403017 -1.973266
C 3.823747 0.146242 -1.121383
C 4.903516 -0.657345 -0.727098
C 5.023094 -1.991241 -1.154177
C 4.076542 -2.484932 -2.067017
C 3.002818 -1.696881 -2.522209
C -1.613964 2.108777 -1.306058
C -1.582095 3.268937 -0.481946
C -2.782773 3.768000 0.042402
C -4.021737 3.173262 -0.263050
C -4.031522 2.041843 -1.088878
C -2.847265 1.483130 -1.605881
C 3.770290 1.608263 -0.731591
C 6.147175 -2.868981 -0.642078
C 2.142167 -2.187285 -3.667656
C -0.277028 4.001888 -0.230519
C -5.307563 3.710351 0.331199
C -2.946390 0.250521 -2.485337
H -2.419630 -2.660090 3.622997
H -0.487882 -2.309363 5.186005
H 1.418153 -0.868247 4.449942
H 2.881454 1.119056 -4.114214
H 1.231245 2.851619 -4.870723
H -0.810731 3.270450 -3.482962
H -4.802006 -3.997872 -0.344802
H -5.518154 0.179125 0.430304
H 5.217088 0.396406 2.266410
H 2.489698 3.713976 2.635837
H 4.190651 -3.498006 -2.463465
H 5.665773 -0.230840 -0.070311
H -4.984704 1.571538 -1.340927
H -2.754976 4.652478 0.685504
H 2.900915 1.827373 -0.094788
H 4.676032 1.896468 -0.182291
H 3.680778 2.242423 -1.628872
H 2.566646 -1.833689 -4.625804
H 2.116855 -3.287573 -3.699775
H 1.108594 -1.824642 -3.587604
H 7.062989 -2.282399 -0.461689
H 5.868468 -3.344952 0.315869
H 6.384002 -3.675641 -1.354017
H 0.535090 3.309242 0.035730
H 0.050349 4.537858 -1.137732
H -0.392888 4.736644 0.580788
H -3.583389 0.451317 -3.364079
H -1.968376 -0.095856 -2.845857
H -3.414967 -0.574936 -1.924549
H -5.265230 4.803307 0.465092
H -6.173796 3.469147 -0.305386
H -5.494636 3.265341 1.325846
H 4.465884 -1.807598 2.015493
H 2.903204 -2.187800 2.800140
H 2.987107 -1.958344 1.043011
H -0.302327 1.845966 3.494730
H 0.172174 3.397608 2.740076
H -0.493244 2.071014 1.755624
H 4.895934 4.050278 3.058009
H 6.020525 2.659866 3.061385
H 5.512333 3.393642 1.524179
H -2.725373 -5.019658 0.253223
H -1.383682 -4.071575 0.939038
H -2.703544 -4.652005 1.998353
H -2.825176 0.554979 2.791661
H -2.486065 1.282161 1.210551
H -4.122179 1.382008 1.879372
H -7.067433 -2.975016 -0.747173
H -7.308232 -1.217764 -0.519180
H -6.429732 -1.825387 -1.942202
H 0.689846 -3.081738 -1.310651
89
5-PH(TS)
C -1.565042 5.784336 -0.182851
C -2.121623 4.583524 -0.710615
C -2.165715 3.405634 0.122137
C -1.729300 3.516139 1.474086
C -1.200358 4.701719 1.961785
C -1.096953 5.842175 1.120532
C -2.687207 2.183558 -0.429996
C -3.243798 2.190449 -1.703672
C -3.219969 3.357772 -2.511379
C -2.644303 4.523290 -2.034968
C -2.666594 0.938084 0.399961
C -1.448562 0.287042 0.752999
C -1.474077 -0.717740 1.764251
C -2.713128 -1.159000 2.272291
C -3.916592 -0.610416 1.813103
C -3.889169 0.456814 0.907861
Ge 0.117189 0.518895 -0.502894
P 0.925922 2.278157 -1.558741
C -0.236050 -1.275362 2.382974
C 0.758860 -0.412958 2.972693
C 1.931074 -1.010619 3.578833
C 2.070361 -2.426982 3.601377
C 1.078774 -3.235025 3.072114
C -0.069579 -2.655427 2.481044
C 2.937470 -0.164357 4.131508
C 2.805281 1.214729 4.114036
C 1.643680 1.804983 3.548708
C 0.646822 1.011736 3.000552
C 0.803854 -1.358412 -0.669491
C 2.181181 -1.656090 -0.498093
C 2.598794 -3.004124 -0.471964
C 1.685800 -4.044083 -0.681867
C 0.349505 -3.748183 -0.983776
C -0.101409 -2.413332 -0.988692
C 3.213258 -0.578851 -0.420553
C 4.217886 -0.471389 -1.450786
C 5.194930 0.591009 -1.356843
C 5.134667 1.513512 -0.270709
C 4.150416 1.399167 0.692467
C 3.199531 0.350113 0.613927
C 4.272821 -1.334576 -2.586592
C 5.256088 -1.186996 -3.554255
C 6.232847 -0.162283 -3.441623
C 6.194574 0.710276 -2.365691
C -1.456927 -2.087891 -1.514595
C -2.674094 -2.688635 -1.030258
C -3.932664 -2.277767 -1.610783
C -3.944246 -1.345046 -2.689247
C -2.761265 -0.815770 -3.172280
C -1.526149 -1.176655 -2.576528
C -5.146199 -2.822337 -1.099343
C -5.135367 -3.756406 -0.074987
C -3.899388 -4.188037 0.474040
C -2.703632 -3.661360 0.009927
H 3.654962 -3.222397 -0.303323
H 2.025350 -5.082086 -0.666068
H -0.339755 -4.546915 -1.264312
H -2.719695 -1.925988 3.049257
H -4.868670 -0.984709 2.193696
H -4.813998 0.952614 0.605337
H -3.669010 1.267936 -2.094178
H -3.640545 3.322876 -3.519064
H -2.594741 5.418713 -2.659793
H -1.516154 6.663961 -0.829942
H -0.668909 6.768493 1.509817
H -0.875738 4.764036 3.003323
H -1.845047 2.657018 2.133314
H 2.970316 -2.859482 4.045345
H 1.181919 -4.321725 3.091260
H -0.840593 -3.301869 2.068778
H 3.824605 -0.631196 4.566888
H 3.589877 1.847030 4.534723
H 1.530816 2.890872 3.536349
H -0.227492 1.484944 2.565143
H -4.904649 -1.063696 -3.128597
H -2.766086 -0.111774 -4.005824
H -0.597385 -0.781305 -2.993619
H -1.762436 -4.001123 0.433364
H -3.890362 -4.932441 1.273146
H -6.073516 -4.167559 0.303736
H -6.090419 -2.491636 -1.539504
H 2.457965 0.257718 1.398897
H 4.093931 2.103102 1.523734
H 5.877949 2.313489 -0.221972
H 3.519944 -2.114100 -2.699664
H 5.272250 -1.858662 -4.415583
H 7.002131 -0.055725 -4.209628
H 6.927337 1.516725 -2.277753
H 0.002277 1.928167 -2.618171
115
6-PH(TS)
C 0.910171 1.416943 0.263756
C -0.302368 0.695310 -0.015097
C -0.254389 -0.742206 -0.106952
C 0.983258 -1.396443 0.045606
C 2.173157 -0.706979 0.352725
C 2.100564 0.691677 0.460034
Ge -1.936724 1.716702 -0.456234
P -2.121666 3.525090 -1.741844
C -1.456851 -1.604384 -0.446093
Si -1.428493 -2.095921 -2.305268
C -0.861299 -0.564317 -3.293806
C 3.502830 -1.405659 0.535403
Si 3.451993 -3.036501 1.555169
C 3.086208 -4.550101 0.449120
C 1.007131 2.928074 0.333410
Si 1.475521 3.585928 2.074776
C 0.080237 3.114957 3.285661
C -3.576173 0.798722 0.200018
C -3.742848 0.565806 1.591482
C -4.898155 -0.088930 2.050039
C -5.899719 -0.524131 1.165337
C -5.741589 -0.248147 -0.204456
C -4.608253 0.417379 -0.702510
C -2.709355 1.043376 2.594656
C -4.502218 0.694698 -2.189166
C -7.099489 -1.299796 1.668278
Si -1.867817 -2.984259 0.830991
C -3.661370 -3.540356 0.505415
C -0.720151 -4.506083 0.751099
C -1.760581 -2.261928 2.591381
Si 4.404628 -1.539033 -1.167437
C 6.009550 -2.559361 -1.003665
C 3.261387 -2.332499 -2.459986
C 4.881232 0.214510 -1.734104
Si 2.062704 3.609280 -1.142426
C 1.478613 5.368680 -1.565973
C 3.920808 3.677262 -0.696303
C 1.777974 2.474933 -2.643296
C -0.235184 -3.531318 -2.691323
C -3.192737 -2.609401 -2.831971
C 5.155021 -3.271901 2.380639
C 2.132365 -2.884183 2.920098
C 3.105187 2.860575 2.751561
C 1.626268 5.485305 2.001051
H 1.009129 -2.479377 -0.073106
H 3.015431 1.241054 0.677754
H -6.520922 -0.559115 -0.906494
H -5.015284 -0.267975 3.122980
H -2.370731 -0.995020 -0.387092
H -0.019356 -3.569351 -3.773451
H 0.727905 -3.422942 -2.171307
H -0.670435 -4.503531 -2.407144
H -3.345494 -2.442154 -3.912304
H -3.369062 -3.679583 -2.633182
H -3.965921 -2.042416 -2.290546
H -0.862363 -0.775211 -4.377597
H -1.506411 0.319017 -3.138924
H 0.159507 -0.263210 -3.007541
H -1.125217 -5.300429 1.403411
H -0.631216 -4.922046 -0.264561
H 0.293810 -4.278116 1.112664
H -4.021823 -4.179474 1.330881
H -4.332702 -2.668804 0.434417
H -3.756963 -4.115696 -0.429625
H -1.714470 -3.069164 3.343024
H -0.866645 -1.631228 2.722329
H -2.646146 -1.645232 2.806720
H 0.017412 3.380301 0.139644
H 4.507220 4.017881 -1.568049
H 4.108558 4.388291 0.126210
H 4.324705 2.698158 -0.395382
H 1.994734 5.736076 -2.470724
H 0.395863 5.357699 -1.775176
H 1.671866 6.087115 -0.753285
H 2.427514 2.748661 -3.492910
H 1.960836 1.416731 -2.396819
H 0.726593 2.569379 -2.961755
H 3.352984 3.337751 3.716461
H 3.019506 1.775923 2.928048
H 3.953330 3.027811 2.068389
H 1.741114 5.905900 3.015410
H 2.499615 5.801235 1.406843
H 0.732755 5.944213 1.545354
H 0.297535 3.474993 4.306570
H -0.884894 3.552000 2.977522
H -0.049239 2.021176 3.334637
H 4.158485 -0.725997 1.115938
H 3.750563 -2.360225 -3.449132
H 2.994781 -3.366504 -2.189437
H 2.325334 -1.761024 -2.564283
H 6.565567 -2.537664 -1.957410
H 6.671832 -2.144192 -0.225256
H 5.819230 -3.615372 -0.752757
H 5.393068 0.185203 -2.712147
H 4.000198 0.865244 -1.837138
H 5.568331 0.695127 -1.016026
H 2.073829 -3.805375 3.525754
H 2.373422 -2.049463 3.601703
H 1.133846 -2.688595 2.502425
H 5.145603 -4.155252 3.042906
H 5.960532 -3.415442 1.643162
H 5.418283 -2.397498 3.001221
H 2.995868 -5.465879 1.059236
H 2.149269 -4.443919 -0.120106
H 3.897096 -4.716164 -0.279675
H -7.341777 -1.033407 2.709308
H -7.987572 -1.114388 1.043284
H -6.897792 -2.385963 1.642219
H -4.381230 1.776629 -2.368937
H -3.626085 0.193747 -2.632606
H -5.393850 0.333048 -2.724164
H -1.703447 0.677349 2.338888
H -2.660019 2.145368 2.618019
H -2.948553 0.698519 3.611884
H -2.112190 4.336554 -0.545709
133
7-PH(TS)
C -0.114270 -1.019816 -0.047553
C -0.197219 0.416983 -0.128066
C -1.501860 1.029492 -0.032386
C -2.646991 0.214055 0.010747
C -2.579709 -1.190875 -0.003181
C -1.302538 -1.772825 -0.011122
Ge 1.344892 1.511857 -0.718139
P 1.316394 3.465450 -1.797763
C -1.718098 2.516843 0.132787
Si -2.774845 3.284050 -1.295554
C -2.334446 2.370795 -2.906155
C -3.814738 -2.055653 0.001007
Si -4.994036 -1.739562 1.490147
C -6.321447 -0.423448 1.107339
C 1.175926 -1.808700 0.000132
Si 1.320860 -2.872577 1.602665
C 0.318727 -2.019340 2.981603
C 3.127206 0.864610 -0.078788
C 3.395577 0.774470 1.319453
C 4.658610 0.337998 1.751330
C 5.661066 -0.039004 0.844179
C 5.404140 0.114875 -0.525708
C 4.170719 0.588776 -1.007944
C 2.355382 1.245293 2.337823
C 2.549961 0.696822 3.764783
C 4.060069 0.874434 -2.508391
C 4.860891 2.156531 -2.837749
C 6.984059 -0.612383 1.334608
C 7.109398 -2.098462 0.921199
Si -2.222253 2.893473 1.954335
C -1.761249 4.702736 2.337394
C -4.073941 2.621235 2.327951
C -1.245102 1.730997 3.110576
Si -4.614144 -2.053599 -1.754125
C -6.058251 -3.299643 -1.775409
C -5.244100 -0.334083 -2.261753
C -3.260321 -2.595459 -2.980566
Si 1.493801 -2.696028 -1.670722
C 3.298309 -3.314469 -1.646755
C 0.322367 -4.160089 -2.013095
C 1.163419 -1.427064 -3.055609
C 4.509613 -0.298547 -3.405316
C 8.193497 0.202403 0.822498
C 2.344655 2.796423 2.373307
C -4.662608 3.160040 -1.007701
C -2.326946 5.126483 -1.432876
C -5.870488 -3.386081 1.887385
C -3.954600 -1.200130 2.990666
C 0.670498 -4.658286 1.421142
C 3.168845 -2.979061 2.053302
H -3.620432 0.696696 0.087476
H -1.226245 -2.860899 0.024495
H 6.193298 -0.123228 -1.241153
H 4.871267 0.266009 2.819402
H -0.758376 3.050768 0.018151
H -5.188023 3.419980 -1.943988
H -5.005785 2.155945 -0.715566
H -4.999163 3.869159 -0.234027
H -2.829986 5.590309 -2.299619
H -2.623111 5.691680 -0.532662
H -1.238271 5.233466 -1.568967
H -2.944865 2.730157 -3.753257
H -1.270671 2.542753 -3.138640
H -2.488725 1.283138 -2.812327
H -4.238084 2.662388 3.419389
H -4.714991 3.386440 1.863640
H -4.424230 1.636813 1.983389
H -1.931671 4.937056 3.402823
H -0.697649 4.897002 2.115884
H -2.357259 5.412390 1.739581
H -1.602164 1.825771 4.150985
H -1.355090 0.677152 2.809915
H -0.170774 1.964733 3.103373
H 2.033228 -1.124958 0.085137
H 0.525263 -4.561245 -3.022124
H 0.439912 -4.984815 -1.294420
H -0.730926 -3.837530 -1.996963
H 3.637865 -3.640648 -2.644894
H 3.986633 -2.528904 -1.294478
H 3.400118 -4.176279 -0.964674
H 1.428913 -1.827867 -4.049006
H 0.091516 -1.167242 -3.071397
H 1.727170 -0.491061 -2.924153
H 0.681585 -5.156299 2.407195
H -0.363401 -4.702249 1.040886
H 1.302506 -5.256115 0.743418
H 3.317132 -3.506346 3.012087
H 3.728305 -3.528530 1.277362
H 3.621856 -1.979041 2.134139
H 0.565117 -2.431297 3.975690
H 0.503329 -0.935021 3.006818
H -0.761564 -2.157845 2.812180
H -3.488654 -3.107210 0.133069
H -5.624757 -0.363773 -3.297953
H -6.061022 0.022384 -1.615392
H -4.438338 0.414351 -2.227865
H -6.455536 -3.421807 -2.798153
H -5.740500 -4.294747 -1.419709
H -6.891562 -2.966802 -1.133729
H -3.626218 -2.582981 -4.021796
H -2.392348 -1.917950 -2.917390
H -2.899909 -3.615847 -2.763968
H -4.588166 -1.035734 3.879567
H -3.206215 -1.969758 3.248068
H -3.408255 -0.267361 2.786487
H -6.548276 -3.272858 2.751480
H -6.470579 -3.746998 1.036041
H -5.139938 -4.174329 2.140300
H -6.910250 -0.197356 2.013542
H -5.896017 0.527001 0.747303
H -7.024315 -0.782795 0.336695
H 6.983178 -0.564740 2.437503
H 3.011357 1.099859 -2.756611
H 1.366203 0.901542 1.989613
H 4.348198 -0.034445 -4.463034
H 5.582844 -0.511680 -3.275619
H 3.947986 -1.215926 -3.185040
H 4.782956 2.383659 -3.914224
H 4.457452 3.007997 -2.269723
H 5.925729 2.018489 -2.585687
H 1.673102 0.954703 4.378514
H 2.665329 -0.397004 3.764444
H 3.438475 1.141507 4.242563
H 1.595557 3.169813 3.090259
H 3.335919 3.166864 2.681646
H 2.126545 3.236019 1.384923
H 8.051287 -2.527014 1.302493
H 6.266218 -2.687612 1.315182
H 7.107930 -2.191524 -0.177418
H 9.132407 -0.215014 1.222184
H 8.248556 0.169309 -0.277777
H 8.117737 1.257741 1.128841
H 1.334465 2.764633 -3.058850
67
8-PH(TS)
C -0.550952 1.128403 -1.484751
C -1.273230 0.085864 -0.824777
C -2.534623 0.389243 -0.231466
C -2.899838 1.752448 -0.169618
C -2.128627 2.798401 -0.684887
C -0.950507 2.480533 -1.397600
Ge -0.114575 -1.571095 -0.536822
P -0.375013 -3.728328 -1.030979
C -3.616836 -0.595494 0.298403
C -3.284296 -2.093474 0.171182
C -2.600227 4.229853 -0.507682
C -0.117833 3.558046 -2.070406
C 0.640779 0.824929 -2.382157
C 1.580336 -0.744751 0.203525
C 1.599091 0.048796 1.384613
C 2.696113 0.901537 1.593096
C 3.798646 0.959517 0.729761
C 3.848831 0.069538 -0.364650
C 2.746567 -0.789150 -0.616988
C 0.525238 0.002751 2.496779
C -0.302130 1.312645 2.484190
C 2.865790 -1.732035 -1.804117
C 5.055332 0.028693 -1.288297
C 4.918703 1.941206 1.025375
C -3.954130 -0.299999 1.785312
C -4.901832 -0.373935 -0.557143
C -0.412435 -1.208537 2.349216
C 1.203088 -0.158849 3.887468
H 4.680284 2.548711 1.911841
H 2.103746 -2.522459 -1.786681
H -3.545402 4.262875 0.055324
H 1.592885 1.179950 -1.958205
H 5.874576 1.423534 1.215619
H 5.090660 2.628199 0.178858
H 2.798888 -1.191141 -2.765478
H 3.847363 -2.232552 -1.794311
H -1.856754 4.834122 0.040245
H -2.764281 4.727267 -1.478865
H 0.750072 -0.249034 -2.601460
H 0.502097 1.318789 -3.358554
H 2.703772 1.554515 2.467965
H -3.842015 2.019331 0.311838
H -4.179790 -2.676845 0.442213
H -2.988790 -2.370742 -0.848514
H -2.487660 -2.421671 0.853925
H -5.695307 -1.054000 -0.205268
H -5.278222 0.657107 -0.484622
H -4.697807 -0.593966 -1.616906
H -4.756563 -0.979016 2.118454
H -3.077145 -0.461450 2.429162
H -4.300447 0.733924 1.933383
H -1.068906 1.287339 3.277440
H 0.355928 2.176691 2.668007
H -0.802079 1.455527 1.517479
H 0.424005 -0.251763 4.662506
H 1.833572 -1.061717 3.912290
H 1.827527 0.707342 4.148439
H -1.103469 -1.272122 3.204749
H -1.076550 -1.089448 1.475387
H 0.143821 -2.156940 2.284283
H -0.199889 3.498983 -3.171062
H -0.428750 4.566513 -1.767409
H 0.951391 3.443864 -1.827205
H 4.752788 0.118354 -2.345231
H 5.769372 0.833680 -1.070735
H 5.594506 -0.931086 -1.198262
H 0.138057 -3.357753 -2.333923
59
9-PH(TS)
C -1.222486 0.019977 -0.495069
Si -2.221034 1.660675 -0.686078
C -1.176553 2.964840 -1.611423
Ge -0.020995 -0.067268 1.082029
C 1.891133 -0.142701 0.531403
Si 2.439961 -1.609784 -0.576348
C 1.374647 -1.772636 -2.150439
Si -2.367363 -1.541209 -0.383605
C -3.811665 -1.229129 0.805797
P -0.654417 -0.369828 3.184831
C -2.941955 -1.979224 -2.148913
C -1.396960 -3.049899 0.280944
C -3.773283 1.426481 -1.775843
C -2.728559 2.327740 1.018862
Si 2.466708 1.600731 -0.035325
C 1.535767 2.922437 0.987943
C 4.321270 1.822132 0.338413
C 2.147606 1.821405 -1.900539
C 4.250748 -1.382609 -1.138001
C 2.344051 -3.202396 0.464346
H -0.586957 -0.083708 -1.393063
H -1.764750 3.894744 -1.709535
H -0.231607 3.219208 -1.110443
H -0.930046 2.625797 -2.632503
H -4.285391 2.399797 -1.879435
H -3.500869 1.088504 -2.790000
H -4.501172 0.709468 -1.366912
H -3.448549 3.158181 0.913819
H -3.187352 1.542424 1.639257
H -1.859255 2.707623 1.581837
H -4.421180 -2.143128 0.918262
H -3.400920 -0.965618 1.795865
H -4.480234 -0.416418 0.481962
H -3.507400 -2.927828 -2.138880
H -3.590524 -1.203411 -2.583182
H -2.078844 -2.115466 -2.823889
H -2.064903 -3.928603 0.320371
H -0.539868 -3.315428 -0.357646
H -1.026135 -2.888946 1.308530
H 2.385424 -0.311201 1.509004
H 1.795823 -2.557624 -2.802880
H 0.330819 -2.046684 -1.935194
H 1.364870 -0.833487 -2.727227
H 4.586079 -2.274611 -1.696450
H 4.373372 -0.509830 -1.800163
H 4.930483 -1.251431 -0.279571
H 2.601690 -4.090821 -0.138639
H 3.054901 -3.154779 1.307372
H 1.340864 -3.364227 0.889352
H 1.813333 3.943927 0.673479
H 0.437393 2.849920 0.909951
H 1.790455 2.819076 2.057079
H 4.634711 2.858484 0.120058
H 4.532111 1.631085 1.404744
H 4.951487 1.144457 -0.257433
H 2.283476 2.871715 -2.210351
H 2.844908 1.205394 -2.493235
H 1.123574 1.526561 -2.174993
H -0.620118 1.062598 3.367376
71
10-PH(TS)
C -1.833569 -0.095488 0.346220
Si -2.768959 -1.731292 -0.079147
C -1.508363 -3.166662 -0.156515
Ge -0.270067 0.064824 -0.845997
C 1.509693 -0.029069 0.121071
Si 1.641771 -1.231307 1.644563
C 1.936607 -3.041255 1.110018
Si -2.992048 1.450205 0.447815
C -3.401129 1.609364 2.307377
P -0.598755 0.613904 -2.979910
C -2.148293 3.052331 -0.134931
C -4.607039 1.282488 -0.542880
C -3.991506 -2.081248 1.343164
C -3.650657 -1.664470 -1.758986
Si 2.863677 -0.517996 -1.205580
C 2.297891 -2.045954 -2.196732
Si 1.778907 1.810007 0.696123
C 0.717455 2.165002 2.244174
C 3.231931 0.877927 -2.443655
C 4.536156 -0.933180 -0.372586
C 3.601538 2.196736 1.107940
C 1.316690 3.079969 -0.656408
C 3.099937 -0.747414 2.783029
C 0.146566 -1.298590 2.839759
H -1.465829 -0.229634 1.373525
H -2.016477 -4.105993 -0.437433
H -0.728119 -2.984507 -0.918287
H -1.000707 -3.337517 0.805600
H -4.482949 -3.060234 1.204102
H -3.476658 -2.099460 2.319394
H -4.782019 -1.314683 1.396024
H -3.759292 -2.685053 -2.165957
H -4.654163 -1.219762 -1.688295
H -3.063248 -1.065831 -2.475872
H -4.092080 2.450673 2.491043
H -3.874909 0.691287 2.693620
H -2.490603 1.790874 2.904511
H -2.841018 3.903537 -0.011356
H -1.234568 3.280250 0.434388
H -1.884002 2.990720 -1.203584
H -5.188805 2.215338 -0.435562
H -4.401802 1.134838 -1.614617
H -5.243542 0.451994 -0.197020
H 0.752763 3.241713 2.485795
H -0.338354 1.894416 2.087811
H 1.076020 1.612661 3.127595
H 3.658720 3.248824 1.441123
H 4.022396 1.566467 1.903079
H 4.241936 2.100221 0.217236
H 1.237881 4.077692 -0.188815
H 2.105273 3.123534 -1.421712
H 0.372088 2.896513 -1.187285
H 1.918460 -3.675332 2.014519
H 1.155039 -3.411972 0.431407
H 2.907389 -3.195157 0.615999
H 3.205135 -1.529112 3.556414
H 4.058758 -0.667162 2.252431
H 2.916929 0.206280 3.303515
H 0.497658 -1.805119 3.756876
H -0.225553 -0.306654 3.137663
H -0.698860 -1.885246 2.449317
H 3.094851 -2.343240 -2.901398
H 2.073944 -2.915671 -1.560714
H 1.403755 -1.807251 -2.794728
H 3.900902 0.480655 -3.228356
H 2.305512 1.224401 -2.927543
H 3.742719 1.737594 -1.980166
H 5.257768 -1.180165 -1.171982
H 4.942675 -0.075047 0.185096
H 4.497823 -1.791584 0.313814
H -0.629701 -0.789595 -3.313860
96
11-PH(TS)
C -0.888126 -0.785605 0.034676
C -0.660823 0.056661 -1.075617
C 0.419560 0.943085 -1.109837
C 1.336947 1.016484 -0.036281
C 1.108263 0.169416 1.072647
C 0.019886 -0.706980 1.112074
N 2.438839 1.914130 -0.029508
Ge 4.233894 1.344247 0.328272
N 4.109220 -0.526878 0.011114
Si 4.811169 -1.584051 1.251307
C 4.477625 -0.818888 2.969240
N -1.989546 -1.699174 0.034557
Ge -3.675839 -1.018166 -0.348679
P -5.357494 -2.142722 -1.256456
Si 2.129589 3.644023 -0.403885
C 3.518065 4.682349 0.376171
C 2.138154 3.956946 -2.284713
C 0.446838 4.136354 0.318887
Si -1.656186 -3.482949 -0.012996
C -1.426664 -3.988889 -1.824581
C -0.066835 -3.856467 0.962332
C -3.094194 -4.391788 0.818940
Si 3.725975 -1.157722 -1.605668
C 2.154024 -2.225013 -1.644586
C 3.543476 0.291194 -2.832000
C 5.177847 -2.233198 -2.226851
N -3.666540 0.713812 0.296316
Si -4.403646 1.963273 -0.755900
C -3.887730 1.607152 -2.555084
Si -3.346295 1.028913 2.027335
C -3.147884 -0.619970 2.960628
C -1.818946 2.125084 2.279652
C -4.871236 1.898805 2.773627
C -6.294032 1.969070 -0.609178
C -3.692009 3.666039 -0.285265
C 3.998165 -3.305353 1.200839
C 6.695515 -1.767093 1.035538
H 1.786014 0.231362 1.923898
H -0.138740 -1.330408 1.990464
H -1.333750 -0.012099 -1.932348
H 0.574448 1.565582 -1.990970
H -2.838239 -5.459028 0.944846
H -4.015562 -4.324428 0.220826
H -3.297550 -3.978255 1.822143
H -2.348355 -3.782441 -2.393686
H -1.197598 -5.064994 -1.918230
H -0.596019 -3.425884 -2.283165
H -0.183047 -3.659494 2.041068
H 0.794797 -3.281209 0.595705
H 0.167512 -4.929638 0.844540
H 0.231565 5.198994 0.111064
H 0.415682 3.987495 1.410196
H -0.364729 3.532540 -0.115280
H 3.598018 4.506623 1.461752
H 3.301206 5.754193 0.220884
H 4.505519 4.475883 -0.068092
H 1.283660 3.486809 -2.799512
H 3.060108 3.566886 -2.748017
H 2.089843 5.040919 -2.492702
H -4.092727 4.431022 -0.973723
H -2.593214 3.679893 -0.368661
H -3.954230 3.973212 0.739236
H -2.791650 1.661094 -2.669504
H -4.333201 2.352261 -3.237514
H -4.223044 0.613307 -2.897412
H -6.617120 2.222980 0.413888
H -6.691106 0.968844 -0.851628
H -6.749084 2.700304 -1.300868
H -4.713670 2.080157 3.851848
H -5.772373 1.272389 2.663881
H -5.082574 2.871790 2.301999
H -4.036131 -1.265031 2.834149
H -3.045810 -0.414653 4.040873
H -2.269185 -1.192139 2.632725
H -1.996749 3.146986 1.911337
H -0.941468 1.722693 1.753145
H -1.569934 2.194206 3.354012
H 4.963217 -2.613883 -3.241460
H 5.363732 -3.105948 -1.579322
H 6.112896 -1.650059 -2.275804
H 2.309004 -3.184761 -1.126990
H 1.872849 -2.451329 -2.688858
H 1.305224 -1.714530 -1.169628
H 4.465024 0.898774 -2.883148
H 2.713258 0.961715 -2.569473
H 3.355917 -0.103166 -3.846339
H 7.132387 -2.408990 1.821329
H 7.194191 -0.783610 1.092121
H 6.946989 -2.210191 0.058014
H 4.894336 0.200700 3.061096
H 4.941017 -1.430539 3.763493
H 3.396608 -0.759875 3.182987
H 4.164194 -3.818492 0.240173
H 2.909669 -3.241602 1.361445
H 4.420124 -3.945053 1.996298
H -4.985094 -1.542077 -2.516853
57
12-PH(TS)
C 3.114366 2.617894 0.061626
Si 1.437263 1.870995 -0.439459
C 0.075503 3.018363 0.222413
N 1.256874 0.190641 0.155097
Ge -0.231450 -0.726962 -0.499973
P -0.100173 -2.507239 -1.835197
C 1.369871 1.850511 -2.345587
Si 2.693775 -0.813011 0.567061
C 3.640238 0.009300 2.006297
C 2.133734 -2.508948 1.225779
C 3.816432 -1.038613 -0.946437
N -1.749829 0.075838 0.261693
C -2.896478 0.312646 -0.702889
C -3.864894 1.413304 -0.207178
C -1.974846 -0.057064 1.754414
C -3.188146 -0.967242 2.083346
C -0.757725 -0.739795 2.429285
C -2.135453 1.313959 2.461994
C -2.297834 0.865750 -2.025832
C -3.690514 -0.974005 -1.057009
H 3.181944 3.623062 -0.391611
H 3.974345 2.032738 -0.300384
H 3.214428 2.734285 1.152052
H 2.169714 1.208872 -2.752432
H 1.498926 2.864837 -2.763437
H 0.413469 1.456012 -2.727830
H 0.235051 3.253764 1.288281
H -0.919362 2.560889 0.126930
H 0.083178 3.972318 -0.334564
H 4.262421 -0.754553 2.505988
H 4.304101 0.825101 1.685203
H 2.944607 0.414373 2.761041
H 3.032839 -3.122415 1.415093
H 1.592619 -2.416972 2.182029
H 1.507186 -3.068505 0.513674
H 4.717705 -1.627485 -0.700292
H 3.258891 -1.571856 -1.734724
H 4.150289 -0.071249 -1.359143
H -4.611243 1.590815 -0.997929
H -4.409737 1.133743 0.702294
H -3.326559 2.355180 -0.021803
H -4.372273 -0.759734 -1.897505
H -2.992548 -1.768812 -1.363660
H -4.297301 -1.335345 -0.217913
H -3.114467 1.156840 -2.704956
H -1.672234 1.749089 -1.831271
H -1.705569 0.104536 -2.560139
H -3.243186 -1.098201 3.176444
H -4.143568 -0.543107 1.753407
H -3.063631 -1.955250 1.616013
H -2.258596 1.144965 3.544850
H -1.235669 1.923049 2.307756
H -3.005512 1.878702 2.111004
H -0.977462 -0.867926 3.500542
H -0.579794 -1.749564 2.015575
H 0.155177 -0.140724 2.327568
H -0.308566 -1.633566 -2.964367
57
13-PH(TS)
C -3.125749 1.546343 2.248924
Si -1.603784 0.475007 1.858648
N -1.452152 0.196137 0.089991
Si -2.937069 0.081400 -0.925596
C -2.479112 -0.456057 -2.691197
C -1.799894 -1.217580 2.712641
C -0.084017 1.330285 2.611738
Ge -0.025025 -0.903116 -0.381388
P -0.129895 -2.962657 -1.207693
N 1.501235 0.118246 -0.147052
Si 1.684456 1.717908 -0.932673
C 0.272439 2.028006 -2.164557
Si 2.924196 -0.711750 0.574057
C 2.303747 -1.950689 1.880034
C 3.954107 -1.612374 -0.736917
C 3.958655 0.592758 1.504219
C -4.174627 -1.162041 -0.194672
C -3.717197 1.814910 -1.067325
C 1.744937 3.166272 0.299027
C 3.302034 1.700305 -1.944309
H -3.186650 1.672631 3.344470
H -4.070796 1.092322 1.913012
H -3.049978 2.549455 1.799600
H -2.665982 -1.769488 2.312613
H -1.933554 -1.110264 3.803766
H -0.910513 -1.852956 2.550764
H -0.068203 2.408064 2.388402
H 0.860963 0.903228 2.248496
H -0.120851 1.215121 3.709880
H -4.489916 1.798055 -1.856706
H -4.195198 2.159610 -0.138898
H -2.963542 2.565697 -1.359940
H -3.378830 -0.381512 -3.327803
H -1.710889 0.196502 -3.137904
H -2.124030 -1.497493 -2.732399
H -5.084345 -1.226463 -0.817495
H -3.712874 -2.163323 -0.163867
H -4.489204 -0.899414 0.829093
H 4.838106 0.104910 1.960553
H 4.325985 1.406285 0.860096
H 3.371061 1.049102 2.318716
H 4.787878 -2.169211 -0.273566
H 3.311840 -2.333402 -1.270385
H 4.379223 -0.917127 -1.478484
H 3.156165 -2.342885 2.462439
H 1.608259 -1.474205 2.592692
H 1.792588 -2.811256 1.420520
H 3.410937 2.660696 -2.478995
H 4.205527 1.558151 -1.330886
H 3.281041 0.895843 -2.698200
H 2.167466 4.056688 -0.199881
H 0.737709 3.431839 0.656721
H 2.367889 2.944645 1.178826
H 0.438975 2.992753 -2.675565
H 0.233464 1.247855 -2.944258
H -0.706253 2.064788 -1.665860
H 0.111045 -3.443072 0.131900
93
14-PH(TS)
C -3.704887 0.516521 2.061860
Si -1.911633 -0.015824 1.675023
C -0.653609 1.118979 2.557845
C -0.387789 0.815028 4.051635
C -4.061168 0.325198 3.558182
N -1.578851 0.019241 -0.086726
Ge -0.109046 -1.059463 -0.522597
P -0.247291 -3.237251 -0.963312
C -1.729733 -1.792292 2.367322
C -2.859589 -2.745788 1.914161
Si -2.821764 0.215814 -1.355880
C -4.027450 1.652662 -0.983973
C -3.374906 2.991815 -0.574701
C -2.043847 0.725517 -3.038894
C -0.746106 0.058256 -3.540140
C -3.822820 -1.387362 -1.588415
C -4.937736 -1.286888 -2.656552
N 1.453613 -0.128384 -0.215040
Si 2.940610 -1.182552 -0.102163
C 4.543354 -0.191370 0.296702
C 5.006467 -0.131992 1.770384
Si 1.707121 1.656147 -0.353078
C 2.830028 1.934262 -1.884379
C 3.755618 3.169911 -1.778202
C 0.092019 2.606309 -0.672128
C 0.304687 4.033790 -1.229466
C 2.542434 2.276883 1.262296
C 2.012747 3.617094 1.825815
C 2.672649 -2.447289 1.297820
C 2.108377 -1.842930 2.605836
C 3.280565 -2.008457 -1.783797
C 4.256307 -3.203804 -1.667347
H -4.400288 -0.080590 1.447741
H -3.867861 1.568844 1.780605
H -1.717907 -1.712309 3.469788
H -0.756506 -2.243235 2.101080
H -0.970544 2.171117 2.439719
H 0.297229 1.029052 2.012977
H -4.585433 1.800250 -1.928189
H -4.780789 1.355249 -0.237744
H -2.845617 0.537298 -3.777423
H -1.907043 1.821833 -3.034151
H -3.123932 -2.207248 -1.831779
H -4.263379 -1.662644 -0.613231
H 5.314807 -0.731621 -0.285299
H 4.527688 0.822294 -0.130726
H 2.328495 -2.356078 -2.213439
H 3.696860 -1.248187 -2.471990
H 3.643757 -2.932982 1.504080
H 2.001415 -3.239526 0.928839
H 3.438477 1.036947 -2.081618
H 2.168012 2.043965 -2.763299
H 2.412891 1.493058 2.026817
H 3.630043 2.359897 1.108241
H -0.510780 2.033749 -1.387478
H -0.511785 2.640957 0.244866
H -0.665412 4.534466 -1.390452
H 0.890632 4.663509 -0.542838
H 0.832825 4.012284 -2.196208
H 2.476024 3.844522 2.801110
H 2.240926 4.454792 1.147877
H 0.921396 3.589234 1.970097
H 4.343944 3.313370 -2.700465
H 3.179400 4.092498 -1.601936
H 4.466539 3.060540 -0.942604
H 4.501319 -3.621079 -2.658879
H 5.207615 -2.913980 -1.186733
H 3.807466 -4.010479 -1.065663
H 1.877394 -2.628903 3.344957
H 2.821664 -1.144003 3.069057
H 1.180533 -1.280977 2.418874
H 6.008955 0.322592 1.851371
H 4.320204 0.464882 2.388652
H 5.059097 -1.140558 2.210534
H 0.359092 1.511858 4.469451
H -1.302393 0.901574 4.659239
H 0.000112 -0.207572 4.179508
H -2.770545 -3.730535 2.402895
H -3.851512 -2.333702 2.164450
H -2.810910 -2.907687 0.826877
H -5.116148 0.585665 3.748237
H -3.909935 -0.717968 3.878965
H -3.439530 0.967145 4.202320
H -5.496469 -2.234009 -2.747509
H -5.663205 -0.494056 -2.407530
H -4.520795 -1.053756 -3.650993
H -0.499692 0.374742 -4.568574
H 0.121515 0.338839 -2.916392
H -0.821301 -1.040932 -3.540669
H -4.129806 3.785900 -0.442681
H -2.817452 2.893526 0.370038
H -2.656231 3.333487 -1.336136
H -0.421939 -2.914200 -2.357295
57
15-PH(TS)
C 3.494821 -1.660747 1.884903
Ge 1.637312 -1.001555 1.647628
N 1.510417 -0.059639 0.001597
Ge 3.071241 0.484273 -0.943778
C 2.454019 1.346365 -2.623190
C 1.179516 0.285434 3.092267
C 0.386243 -2.533203 1.699890
Ge 0.043418 1.049975 -0.141104
P 0.024798 3.275566 -0.063060
N -1.443412 -0.027118 -0.030448
Ge -1.642479 -1.559573 -1.153365
C 0.060089 -2.035615 -2.048000
Ge -3.058579 0.830634 0.561697
C -2.634794 1.730752 2.275276
C -3.738318 2.076780 -0.816051
C -4.383759 -0.610413 0.922695
C 4.146712 1.746157 0.144505
C 4.078917 -1.162231 -1.421647
C -2.368160 -3.124236 -0.155389
C -2.949871 -1.040939 -2.562755
H 3.606144 -2.029615 2.918492
H 4.239278 -0.867567 1.722180
H 3.712629 -2.491457 1.197081
H 1.818900 1.179690 3.021390
H 1.312502 -0.166875 4.089602
H 0.129281 0.610754 3.005348
H 0.525902 -3.199423 0.835177
H -0.649460 -2.168133 1.695753
H 0.550384 -3.120202 2.619503
H 4.731276 -0.954905 -2.286658
H 4.708424 -1.516553 -0.592921
H 3.381786 -1.967333 -1.704204
H 3.280729 1.381912 -3.352777
H 1.627312 0.774887 -3.077975
H 2.107236 2.372740 -2.433703
H 5.029006 2.098601 -0.416050
H 3.518312 2.613738 0.400816
H 4.497860 1.276274 1.077307
H -5.349690 -0.147209 1.186140
H -4.545457 -1.263777 0.052491
H -4.063706 -1.237595 1.769530
H -4.659988 2.573583 -0.468174
H -2.968178 2.839549 -1.007942
H -3.960878 1.540005 -1.751174
H -3.552361 2.147871 2.723838
H -2.201274 1.010974 2.989138
H -1.922960 2.554496 2.114791
H -3.063990 -1.864636 -3.287967
H -3.940450 -0.819605 -2.136336
H -2.601553 -0.146667 -3.103643
H -3.238349 -3.532778 -0.695500
H -1.607562 -3.914452 -0.066112
H -2.693766 -2.843554 0.855215
H -0.115834 -2.918900 -2.686270
H 0.417183 -1.212675 -2.686519
H 0.847997 -2.258565 -1.317955
H 0.270574 3.312466 -1.483566
93
16-PH(TS)
C -3.790185 0.481505 2.131203
C -4.126495 0.288831 3.621863
Ge -1.897940 -0.011881 1.761543
N -1.542707 -0.025141 -0.108160
Ge -2.916720 0.070182 -1.411259
C -2.106651 0.597464 -3.165268
C -0.740361 0.010394 -3.547271
C -1.647737 -1.851735 2.495204
C -2.724221 -2.824276 1.987101
C -0.607391 1.246350 2.601539
C -0.379528 1.024746 4.106513
Ge -0.088817 -1.113882 -0.498321
P -0.155639 -3.298637 -0.922692
N 1.443301 -0.166288 -0.191483
Ge 1.664843 1.719640 -0.396826
C -0.040022 2.658088 -0.774014
C 0.176804 4.058142 -1.371807
Ge 3.048896 -1.228011 -0.064960
C 2.745783 -2.486228 1.443551
C 2.171070 -1.798994 2.695168
C 3.411977 -2.117662 -1.800940
C 4.353708 -3.323474 -1.637913
C 4.639923 -0.075511 0.332352
C 5.064454 0.006438 1.807315
C -3.885558 -1.659875 -1.547801
C -4.871063 -1.710968 -2.728088
C -4.184040 1.548773 -0.984999
C -3.511284 2.872099 -0.589587
C 2.526617 2.429844 1.264822
C 1.929546 3.751000 1.776633
C 2.848294 1.936242 -1.993459
C 3.768175 3.167222 -1.921603
H -4.440417 -0.152929 1.515934
H -3.972500 1.518483 1.827371
H -1.668613 -1.777793 3.592145
H -0.648732 -2.230043 2.237841
H -0.940081 2.275078 2.406632
H 0.336594 1.111389 2.065041
H -4.776194 1.692840 -1.901563
H -4.885027 1.223640 -0.208379
H -2.853329 0.321051 -3.924126
H -2.053444 1.695454 -3.173778
H -3.132845 -2.456660 -1.620202
H -4.414042 -1.816155 -0.596585
H 5.449871 -0.530476 -0.257965
H 4.497188 0.928298 -0.080989
H 2.450379 -2.440099 -2.215457
H 3.849616 -1.371083 -2.480530
H 3.698367 -2.981733 1.679066
H 2.061437 -3.260709 1.075273
H 3.444167 1.023333 -2.114144
H 2.194114 1.999684 -2.874729
H 2.430619 1.651031 2.031210
H 3.600860 2.550381 1.079937
H -0.617484 2.037635 -1.462724
H -0.628481 2.708443 0.145856
H -0.787024 4.551231 -1.563207
H 0.751130 4.705737 -0.698286
H 0.717948 4.006461 -2.325392
H 2.375472 4.037803 2.739399
H 2.110010 4.570853 1.070275
H 0.845830 3.667791 1.920277
H 4.393365 3.253335 -2.821333
H 3.190208 4.095575 -1.826573
H 4.440064 3.108861 -1.055057
H 4.594017 -3.775602 -2.610402
H 5.303856 -3.040171 -1.161763
H 3.884283 -4.097125 -1.016959
H 1.870757 -2.536483 3.452499
H 2.903272 -1.123889 3.153559
H 1.288829 -1.197926 2.445161
H 6.018634 0.541897 1.915211
H 4.317217 0.535009 2.409162
H 5.191467 -0.993850 2.239919
H 0.366865 1.729569 4.499886
H -1.303473 1.160791 4.682572
H -0.014599 0.008699 4.301739
H -2.615969 -3.814413 2.450940
H -3.733366 -2.454576 2.214950
H -2.636920 -2.955589 0.902096
H -5.183218 0.515102 3.820757
H -3.939401 -0.744372 3.940785
H -3.520044 0.946609 4.257467
H -5.405662 -2.670759 -2.760124
H -5.624517 -0.913578 -2.662163
H -4.348491 -1.592910 -3.686896
H -0.446249 0.309385 -4.563776
H 0.053629 0.368286 -2.876197
H -0.740546 -1.086417 -3.512095
H -4.254794 3.663059 -0.416104
H -2.918306 2.758136 0.325590
H -2.826154 3.219627 -1.372343
H -0.329024 -2.979674 -2.309533
141
17-PH(TS)
C -2.492565 -2.523714 -1.953800
C -2.499690 -2.804166 -0.574050
C -2.822734 -4.111634 -0.148519
C -3.148279 -5.109632 -1.081770
C -3.152970 -4.809612 -2.455497
C -2.818550 -3.517535 -2.889368
Ge -2.203598 -1.403888 0.780580
C -3.946821 -1.016205 1.613952
C -5.098630 -1.724661 1.216590
C -6.326594 -1.520912 1.869874
C -6.410858 -0.610737 2.934876
C -5.263572 0.082737 3.355807
C -4.041013 -0.126254 2.704354
N -1.505477 0.141184 -0.084131
Ge 0.033554 0.033946 -1.132862
P 0.058646 0.382354 -3.328207
Ge -2.815749 1.327488 -0.885078
C -3.954404 0.452661 -2.231801
C -5.106161 -0.264846 -1.843871
C -5.880829 -0.955865 -2.788496
C -5.517123 -0.935192 -4.143738
C -4.379275 -0.216908 -4.547060
C -3.602668 0.469441 -3.599621
C -1.773398 2.825949 -1.608249
C -0.671228 3.313601 -0.875569
C 0.023311 4.460976 -1.292458
C -0.377366 5.134587 -2.454884
C -1.480812 4.664861 -3.189772
C -2.178401 3.524451 -2.765542
C -3.911423 2.142440 0.531182
C -5.313723 2.239850 0.425951
C -6.060240 2.925489 1.397268
C -5.410667 3.543314 2.476649
C -4.011095 3.478056 2.575469
C -3.268041 2.784647 1.610311
C -1.166722 -2.206077 2.265471
C -1.921533 -2.886254 3.249131
C -1.290809 -3.555339 4.310556
C 0.108576 -3.541201 4.416906
C 0.870820 -2.863185 3.453282
C 0.237489 -2.211324 2.381280
N 1.556181 -0.150721 -0.070968
Ge 2.992001 -1.046967 -1.027283
C 4.076439 0.110807 -2.194358
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H -6.549427 -1.781237 1.435170
H 1.990723 -0.403819 -3.303542
79
28-PH(TS)
C -3.588601 -1.469067 0.587653
C -2.990552 -0.531059 -0.295340
C -3.824998 0.333782 -1.063157
C -5.222870 0.229748 -0.927664
C -5.827016 -0.695329 -0.064114
C -4.990411 -1.533375 0.687189
Ge -1.004300 -0.348324 -0.464860
C -0.622947 1.611686 -0.299103
C -1.331148 2.313054 0.719080
C -1.306972 3.719129 0.740039
C -0.572864 4.463897 -0.196377
C 0.203099 3.757326 -1.128720
C 0.196603 2.349525 -1.194336
C -2.097054 1.608574 1.830715
C -0.590250 5.979089 -0.176883
C 1.098681 1.698176 -2.227736
C -3.307281 1.407430 -2.010105
C -7.335742 -0.803068 0.034719
C -2.771934 -2.388240 1.470485
Ge 0.719697 -1.831827 0.610407
P 0.820496 -3.976460 0.015536
C 2.400834 -0.587893 0.314328
N 2.587830 0.672133 0.838832
C 3.660264 1.309752 0.220995
C 4.145964 0.437487 -0.721251
N 3.378420 -0.721981 -0.642698
C 1.911834 1.173595 2.078337
C 1.600461 2.678562 2.081375
C 3.738403 -1.929886 -1.459413
C 2.706081 -2.209114 -2.559982
C 5.263635 0.635249 -1.701927
C 4.168887 2.681842 0.547858
Cl 0.402123 -1.593696 2.920568
C 4.120781 -3.095965 -0.533589
C 2.767301 0.769800 3.290258
Cl -0.713960 -0.995877 -2.595851
H 4.661253 -1.632832 -1.970657
H 4.335699 -3.983321 -1.147219
H 5.023682 -2.832106 0.041199
H 3.321651 -3.359777 0.166958
H 3.093543 -3.020959 -3.195938
H 1.739743 -2.524108 -2.152149
H 2.570251 -1.309593 -3.180766
H 0.961795 0.639355 2.109365
H 0.757989 2.834058 2.769336
H 2.446396 3.275889 2.448935
H 1.296884 3.040141 1.094457
H 2.237239 1.051993 4.212503
H 2.936362 -0.314603 3.306665
H 3.735563 1.296954 3.267329
H 5.635259 1.666353 -1.639869
H 6.113114 -0.041614 -1.508770
H 4.924224 0.462294 -2.736248
H 5.083136 2.878487 -0.028114
H 3.431704 3.460791 0.302487
H 4.418489 2.778780 1.614968
H -5.856601 0.896773 -1.519914
H -5.435407 -2.259599 1.373583
H -4.117653 1.741978 -2.676692
H -2.940759 2.286016 -1.455679
H -2.479972 1.047433 -2.636723
H -7.648537 -1.114725 1.044416
H -7.821331 0.157763 -0.200609
H -7.726131 -1.553188 -0.676381
H -2.037111 -2.971122 0.894931
H -2.206020 -1.825272 2.228109
H -3.420592 -3.103032 1.999908
H 0.835634 4.313188 -1.828186
H -1.858283 4.243909 1.526170
H 1.934007 2.372570 -2.477360
H 1.513900 0.748033 -1.868181
H 0.552286 1.472520 -3.157008
H -1.597068 0.680891 2.154805
H -2.174428 2.268220 2.709831
H -3.116255 1.336273 1.516913
H -0.695602 6.364676 0.850139
H 0.331151 6.396294 -0.613906
H -1.440450 6.372003 -0.762820
H -0.594568 -3.942637 -0.243513
53
29-PH(TS)
C -1.624449 1.036561 -0.064865
C -0.486688 0.309476 0.385528
C -0.639688 -1.059857 0.758563
C -1.873035 -1.696642 0.525022
C -2.969774 -1.022285 -0.027982
C -2.831498 0.349178 -0.285022
Ge 1.356066 1.102637 0.459636
P 2.704389 1.406835 2.194418
C 0.420962 -1.860490 1.527355
C 0.754944 -3.224022 0.884333
C -4.288086 -1.740082 -0.288824
C -4.664522 -1.686531 -1.787731
C -1.654122 2.558912 -0.223073
C -2.649680 3.176662 0.790120
N 2.275537 -0.476368 -0.602704
C 1.643986 -0.975451 -1.690048
C 2.233303 -1.955544 -2.492613
C 3.504364 -2.438711 -2.148184
C 4.147644 -1.917557 -1.014409
C 3.506213 -0.925093 -0.268732
Cl 1.515408 2.434894 -1.389018
C -0.048205 -2.044222 2.990793
C -2.000566 2.989854 -1.664383
C -5.425696 -1.151731 0.578031
H 3.961926 -0.449668 0.601705
H 5.135997 -2.263093 -0.711421
H 3.988006 -3.205992 -2.755112
H 1.698730 -2.329350 -3.365838
H 0.655406 -0.565374 -1.890526
H -3.694951 0.910994 -0.647270
H -1.990867 -2.746665 0.805130
H 1.351622 -1.282268 1.590856
H 1.544138 -3.727448 1.466464
H -0.125534 -3.886510 0.873396
H 1.105237 -3.110275 -0.152867
H 0.713272 -2.597513 3.565120
H -0.200208 -1.063488 3.466325
H -0.994977 -2.607300 3.030046
H -0.665234 2.969459 0.018328
H -2.619401 4.276552 0.720749
H -3.681197 2.847864 0.582794
H -2.396716 2.881501 1.820828
H -1.995909 4.089344 -1.742469
H -1.265928 2.587677 -2.376928
H -3.004237 2.631309 -1.948339
H -4.157225 -2.799348 -0.006465
H -5.606490 -2.230679 -1.968174
H -4.804149 -0.642593 -2.113450
H -3.873832 -2.135107 -2.410352
H -6.366068 -1.700491 0.403160
H -5.175864 -1.210795 1.649120
H -5.595524 -0.092372 0.325088
H 2.076878 2.671526 2.474431
19
30-PH(TS)
C 1.540894 -1.589934 0.103667
C 1.477403 -0.188904 -0.025510
C 2.665604 0.586677 -0.051857
C 3.933124 -0.009350 0.050021
C 3.984020 -1.401385 0.180739
C 2.802814 -2.178719 0.206289
N 0.313968 0.590751 -0.135102
C 0.580861 1.877847 -0.243048
S 2.258807 2.290486 -0.222937
Ge -1.627201 -0.231115 -0.112910
P -1.707271 -1.575933 -1.852640
Cl -2.676658 1.741361 0.094649
Cl -1.610552 -0.912381 1.990962
H 0.624844 -2.179335 0.091018
H 2.876969 -3.262513 0.304358
H 4.954707 -1.893102 0.261869
H 4.843538 0.590366 0.027445
H -0.204073 2.625855 -0.326302
H -2.780938 -2.299667 -1.220178
19
31-PH(TS)
C -2.718830 1.200185 0.171885
C -1.686982 1.198559 -0.953834
O -0.807065 0.023769 -0.798481
C -1.590085 -1.227693 -0.772050
C -2.654151 -1.139535 0.324842
O -3.498152 0.000711 0.133447
Ge 1.075991 0.158066 0.089894
P 1.396723 2.327630 0.281495
Cl 0.692260 -1.241626 1.776880
Cl 1.981442 -1.253771 -1.350787
H -2.042704 -1.321334 -1.770600
H -0.865837 -2.031182 -0.597045
H -3.303297 -2.026586 0.277949
H -2.161309 -1.095999 1.312637
H -3.417457 2.039305 0.038668
H -2.200781 1.305172 1.144968
H -2.167593 1.087076 -1.937763
H -1.030805 2.076325 -0.944159
H 2.696315 2.031458 0.827952
72
35-PH(TS)
C -3.144503 1.264758 -0.379415
C -2.637919 -0.059219 -0.268550
C -3.516509 -1.175979 -0.218139
C -4.900487 -0.945390 -0.294753
C -5.412395 0.354456 -0.410630
C -4.537768 1.446576 -0.445690
N -1.232628 -0.268112 -0.197197
Si 0.018474 -0.449494 -1.439573
C 0.033593 -2.150704 -2.263471
C -2.955139 -2.578611 -0.001932
C -3.779474 -3.695775 -0.673292
C -2.220586 2.480353 -0.363294
C -2.261961 3.166822 1.022462
N 1.220962 -0.266740 -0.152027
Ge -0.033389 -0.032538 1.209570
P -0.075262 0.066848 3.402404
C 2.616878 0.001554 -0.188882
C 3.075259 1.349899 -0.184099
C 4.460366 1.588824 -0.215856
C 5.379460 0.533079 -0.262487
C 4.915609 -0.787667 -0.269360
C 3.540082 -1.077373 -0.230045
C 2.112425 2.532909 -0.100001
C 2.387471 3.603784 -1.178705
C 3.076129 -2.530793 -0.190335
C 3.475187 -3.188875 1.151142
C 0.059123 0.911968 -2.749855
C 3.618511 -3.344241 -1.386524
C 2.140471 3.155198 1.315682
C -2.807964 -2.845103 1.516005
C -2.532522 3.491063 -1.488015
H 5.629938 -1.613445 -0.295804
H 6.451745 0.739537 -0.288462
H 4.821004 2.619454 -0.202214
H 1.979577 -2.539594 -0.249693
H 3.116190 -4.231244 1.189644
H 4.571582 -3.197374 1.267573
H 3.045815 -2.635711 2.001578
H 3.218902 -4.371683 -1.359887
H 3.330611 -2.881198 -2.344337
H 4.718536 -3.407866 -1.357542
H 1.092754 2.162294 -0.276650
H 1.413464 3.982318 1.386889
H 1.895650 2.402621 2.082539
H 3.143823 3.554277 1.538429
H 1.619515 4.393450 -1.126468
H 3.369613 4.080262 -1.029285
H 2.371182 3.162883 -2.188015
H -4.938516 2.459455 -0.521838
H -6.491509 0.514388 -0.466696
H -5.588001 -1.791819 -0.257019
H -1.192121 2.130566 -0.523402
H -1.789283 4.305650 -1.476038
H -2.504943 3.005605 -2.476397
H -3.528133 3.944545 -1.356493
H -1.557753 4.015984 1.053017
H -3.275386 3.547496 1.231672
H -1.995068 2.458211 1.823275
H -1.947225 -2.603221 -0.439214
H -2.331389 -3.824392 1.693234
H -2.204478 -2.062268 2.003886
H -3.800331 -2.849008 1.996916
H -3.250272 -4.657407 -0.574445
H -4.766270 -3.812319 -0.196203
H -3.937570 -3.490049 -1.744393
H -0.851372 0.880917 -3.372636
H 0.133099 1.914584 -2.304843
H 0.925402 0.771217 -3.419241
H -0.860457 -2.292844 -2.894896
H 0.922907 -2.269470 -2.905683
H 0.050482 -2.953514 -1.509863
H -0.091318 1.504999 3.293526
90
36-PH(TS)
C 4.239697 -2.800343 1.347590
C 3.212878 -2.638549 0.193840
N 2.895509 -1.203160 0.002194
Si 1.591071 0.003492 0.012106
N 0.278412 -0.022637 1.201903
C 0.238820 -0.001377 2.676749
C -0.667016 -1.145913 3.183636
C 1.964606 -3.446275 0.548622
C 3.826316 -3.214258 -1.106828
Ge 4.299868 0.037913 -0.225367
N 2.864150 1.239669 -0.096404
C 3.085259 2.696197 0.025899
C 3.734713 3.000226 1.399736
C 4.021732 3.196778 -1.100931
C 1.755400 3.436522 -0.065496
N 0.269738 0.033248 -1.183681
Si -1.020918 0.012988 0.003558
N -2.305195 -1.241397 -0.059502
C -2.489573 -2.710105 -0.167461
C -3.236296 -3.233184 1.082655
C 0.302366 0.052901 -2.659293
C 1.129893 -1.148478 -3.171062
C -1.134255 -0.041531 -3.210320
C 0.950807 1.369592 -3.145362
N -2.363004 1.209476 0.101503
Ge -3.705487 -0.058686 -0.001908
P -5.904118 -0.145154 0.151802
C -2.676550 2.665156 0.060100
C -3.595264 3.034354 1.249730
C -1.394708 3.486713 0.146352
C -3.396414 3.000271 -1.269562
C 1.663155 -0.193011 3.234861
C -0.327966 1.353703 3.158674
C -3.313076 -3.049201 -1.432882
C -1.118927 -3.368938 -0.254004
H 2.241329 -4.471761 0.841384
H 1.423399 -2.973277 1.381120
H 1.308978 -3.504069 -0.324100
H 4.076962 -4.280615 -0.977574
H 3.111574 -3.114663 -1.937844
H 4.749916 -2.672409 -1.371052
H 4.460137 -3.868071 1.511342
H 5.189830 -2.292208 1.111696
H 3.837970 -2.373631 2.279701
H 1.036366 1.382381 -4.244785
H 0.338076 2.229437 -2.830048
H 1.953467 1.480977 -2.706336
H -1.122749 -0.022753 -4.311364
H -1.612916 -0.973039 -2.874406
H -1.738254 0.807141 -2.851091
H 1.182535 -1.144904 -4.272330
H 2.153564 -1.109450 -2.768491
H 0.669236 -2.093308 -2.841017
H -3.817763 4.113907 1.226519
H -4.546881 2.482493 1.197493
H -3.095272 2.799918 2.202646
H -3.630854 4.076593 -1.314781
H -2.751950 2.743581 -2.125658
H -4.341994 2.439298 -1.349150
H -1.628709 4.560679 0.075196
H -0.888230 3.303169 1.102275
H -0.727619 3.217376 -0.679712
H 3.918501 4.081806 1.514767
H 3.070976 2.666724 2.213255
H 4.697644 2.470764 1.495367
H 4.167366 4.285951 -1.013460
H 5.012488 2.716102 -1.041982
H 3.582734 2.975952 -2.086257
H 1.892994 4.520677 0.074458
H 1.293686 3.260654 -1.045174
H 1.089228 3.061694 0.718422
H -0.401992 1.382493 4.258638
H 0.325391 2.176546 2.826691
H -1.329401 1.512781 2.730741
H 1.646317 -0.162736 4.335693
H 2.075746 -1.160380 2.911717
H 2.329027 0.605972 2.871813
H -0.714920 -1.145794 4.284969
H -1.688838 -1.033440 2.789592
H -0.274056 -2.117487 2.844818
H -3.455353 -4.140068 -1.504463
H -4.306009 -2.573324 -1.387668
H -2.790100 -2.704399 -2.338714
H -1.213044 -4.458480 -0.383314
H -0.553745 -2.953528 -1.101531
H -0.568457 -3.169205 0.670874
H -3.367024 -4.326102 1.016449
H -2.660890 -2.999823 1.991418
H -4.232648 -2.768502 1.155824
H -5.947177 -0.050220 -1.289660
46
37-PH(TS)
C 3.359072 1.219508 -0.115949
C 2.621697 0.006332 -0.157263
C 3.336864 -1.219432 -0.128021
C 4.734628 -1.227809 -0.053131
C 5.443179 -0.019918 -0.002597
C 4.755671 1.201978 -0.039718
N 1.230727 0.019473 -0.219216
Ge -0.007182 0.020395 1.183948
P -0.020725 -0.200375 3.352686
C 2.565947 -2.525240 -0.194289
F 1.834897 -2.616365 -1.350730
C 6.957424 -0.019969 0.013185
F 7.461987 -1.180123 0.511145
C 2.610615 2.538624 -0.167130
F 3.444665 3.606315 -0.127077
Ge 0.009307 0.018188 -1.686109
N -1.228839 0.020736 -0.233192
C -2.620539 0.013256 -0.187950
C -3.340986 -1.210332 -0.171156
C -4.739193 -1.212946 -0.121566
C -5.444847 -0.001677 -0.089643
C -4.752276 1.216839 -0.107324
C -3.353738 1.228561 -0.158260
C -2.574113 -2.518797 -0.232181
F -1.703530 -2.656539 0.810743
C -2.600183 2.544935 -0.203986
F -3.430708 3.615691 -0.174078
C -6.954239 -0.015624 0.034133
F -7.499557 -1.090767 -0.597602
F -1.737389 2.682209 0.847651
F -1.850385 2.655780 -1.345401
F -7.336059 -0.079958 1.339643
F -7.515498 1.104627 -0.496094
F -3.393997 -3.597756 -0.208261
F -1.831260 -2.610525 -1.381080
F 3.381601 -3.607121 -0.159891
F 1.683687 -2.658401 0.839633
F 1.873431 2.653419 -1.316088
F 1.737444 2.677468 0.875729
F 7.455774 0.131383 -1.246306
F 7.449602 1.003390 0.763004
H -5.305649 2.153761 -0.089539
H -5.283082 -2.155710 -0.115138
H 5.312248 2.136750 -0.001773
H 5.273804 -2.172604 -0.026164
H -0.019912 1.243044 3.410967
100
38-PH(TS)
C 3.417012 1.258651 -0.036495
C 2.690602 0.019289 0.000643
C 3.406552 -1.230948 -0.005190
C 4.807527 -1.186083 -0.088595
C 5.542269 0.004961 -0.160264
C 4.822980 1.202067 -0.122188
N 1.265350 0.023055 -0.048948
Ge 0.143993 0.015151 -1.612825
N -1.230989 -0.002535 -0.305192
Ge -0.111582 -0.002926 1.206599
P -0.404129 0.178292 3.378822
C 2.734023 -2.634262 0.111876
C 2.108707 -2.800170 1.520747
C 7.077666 -0.054938 -0.266567
C 7.649456 -0.776559 0.982283
C 2.758234 2.671179 0.041000
C 2.084395 2.869899 1.423040
C -2.656634 0.005915 -0.304494
C -3.366685 1.252967 -0.260213
C -4.772428 1.213241 -0.164881
C -5.504949 0.024344 -0.120964
C -4.784829 -1.175212 -0.197797
C -3.384939 -1.236045 -0.288243
C -2.688510 2.656933 -0.349781
C -3.707049 3.819278 -0.168714
C -2.727470 -2.647981 -0.385638
C -2.046928 -2.833022 -1.766575
C -7.039503 -0.018373 0.003922
C -7.635547 -0.736359 -1.235547
C 1.667606 -2.890452 -0.990759
C 3.757959 -3.797247 -0.028146
C 7.475061 -0.849646 -1.538640
C 7.725839 1.344809 -0.352477
C 3.797206 3.823414 -0.078067
C 1.746735 2.924539 -1.109693
C -1.722889 -2.916400 0.766150
C -3.769996 -3.798587 -0.287694
C -7.428668 -0.805675 1.283195
C -7.671126 1.388606 0.095259
C -1.604606 2.884314 0.742350
C -2.082146 2.857285 -1.763267
H 5.372278 -2.112846 -0.111230
H 5.384752 2.127227 -0.170980
H -5.359814 -2.095592 -0.170547
H -5.323390 2.144268 -0.107877
H 3.260680 4.782260 -0.004296
H 4.537869 3.794307 0.735999
H 4.326919 3.802224 -1.044118
H 1.565044 3.842556 1.453737
H 1.357016 2.087328 1.663886
H 2.845999 2.854685 2.218517
H 1.481215 3.994250 -1.148747
H 2.178251 2.639111 -2.082380
H 0.808130 2.379358 -0.966921
H 8.819328 1.237256 -0.430985
H 7.369930 1.896887 -1.237448
H 7.504312 1.945511 0.544571
H 8.573605 -0.916656 -1.612713
H 7.069834 -1.873279 -1.514920
H 7.092508 -0.349709 -2.443177
H 8.748186 -0.844108 0.908915
H 7.392315 -0.223699 1.900090
H 7.247240 -1.797568 1.072551
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H 4.518546 -3.773239 0.767405
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H 1.568437 -3.759975 1.585386
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H -2.795972 -2.756596 -2.570936
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H -3.236729 -4.758666 -0.368109
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H -4.506959 -3.756898 -1.105005
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H -0.643676 2.434320 0.469298
H -1.575991 3.835741 -1.823151
H -1.345276 2.082813 -2.015099
H -2.875558 2.824946 -2.527098
H -3.162163 4.773363 -0.240208
H -4.477707 3.819104 -0.955167
H -4.200180 3.778830 0.815436
H -8.764705 1.293182 0.187210
H -7.298477 1.937489 0.975148
H -7.454026 1.985883 -0.805314
H -8.526860 -0.857358 1.373811
H -7.037863 -1.834752 1.254908
H -7.024640 -0.310171 2.180494
H -8.733811 -0.792466 -1.147106
H -7.385675 -0.187821 -2.158175
H -7.245444 -1.761796 -1.329116
H -0.411641 -1.263931 3.434658
64
39-PH(TS)
C 5.217195 -1.245135 -0.565892
C 5.716889 -0.150771 -1.293008
C 4.879235 0.937314 -1.588747
C 3.547041 0.939448 -1.150977
C 3.044081 -0.152291 -0.416562
C 3.883634 -1.251774 -0.136697
C 1.631964 -0.181203 0.033387
N 1.001890 0.764024 0.772551
C 1.637852 1.610390 1.816968
C 2.636454 0.829344 2.691804
N 0.792625 -1.188355 -0.222192
Ge -0.609212 -0.399483 0.966320
P -0.884216 -1.141767 3.047065
C 0.915907 -2.222779 -1.250801
C 0.644502 -3.597478 -0.614406
C -0.051282 -1.927634 -2.414760
N -1.899467 0.287200 -0.214874
Si -1.684994 1.914904 -0.891450
C -3.236724 2.506078 -1.830665
Si -3.439651 -0.611557 -0.304659
C -4.105641 -0.633558 -2.095727
C -3.165943 -2.440421 0.154667
C -4.723657 0.136345 0.878942
C 2.249934 2.900545 1.238822
C -1.427528 3.174963 0.514995
C -0.243873 1.978361 -2.137434
H 3.485879 -2.090504 0.437160
H 5.866533 -2.091160 -0.332443
H 6.755587 -0.147736 -1.629641
H 5.262066 1.784169 -2.161619
H 2.889501 1.776617 -1.383860
H 1.949482 -2.202219 -1.633663
H 0.736573 -4.390794 -1.373203
H 1.355395 -3.796011 0.202308
H -0.373524 -3.630337 -0.196166
H 0.031928 -2.715265 -3.181278
H -1.087444 -1.892703 -2.049563
H 0.182393 -0.954888 -2.872096
H 0.794047 1.898839 2.463507
H 2.468217 3.599343 2.062798
H 3.193029 2.688313 0.714932
H 1.552127 3.387318 0.541153
H 2.955659 1.460565 3.537066
H 2.148102 -0.075481 3.085361
H 3.530363 0.547617 2.115011
H -3.124355 3.588062 -2.024332
H -4.165424 2.369919 -1.253521
H -3.362183 2.004037 -2.802121
H -2.360089 3.278492 1.096738
H -1.170827 4.172819 0.116024
H -0.633011 2.882700 1.216276
H -0.456598 1.339216 -3.011452
H 0.699120 1.637833 -1.688313
H -0.094876 3.009072 -2.506472
H -4.782809 -1.498566 -2.212732
H -3.289085 -0.752273 -2.828569
H -4.671065 0.270859 -2.363675
H -2.460170 -2.937588 -0.532470
H -4.129988 -2.974097 0.074285
H -2.794813 -2.561875 1.183756
H -4.909973 1.202405 0.662680
H -4.352007 0.061863 1.915030
H -5.691370 -0.393060 0.821358
H -1.008911 -2.490957 2.557217
78
40-PH(TS)
C -2.864054 1.517176 -0.077392
C -2.469582 0.158270 -0.197228
C -3.407404 -0.868973 -0.471934
C -4.747835 -0.500559 -0.680782
C -5.151428 0.838662 -0.616439
C -4.214813 1.832945 -0.310712
N -1.098720 -0.176912 0.023320
C -0.016200 -0.021976 -0.763631
C 0.000062 0.033405 -2.301070
C -1.400152 0.185724 -2.938403
C -3.008528 -2.341015 -0.528476
C -3.468044 -3.036410 -1.830761
C -1.887317 2.633574 0.289812
C -2.366133 3.423873 1.527835
Ge -0.006315 -0.450585 1.653103
P -0.122983 0.756907 3.490289
N 1.083475 -0.138882 0.016731
C 2.466615 0.090916 -0.255748
C 3.348606 -1.016675 -0.364851
C 4.720175 -0.763216 -0.551377
C 5.216131 0.542187 -0.613346
C 4.336459 1.623693 -0.484094
C 2.956385 1.429512 -0.301130
C 2.871266 -2.457248 -0.213836
C 3.283120 -2.993223 1.178080
C 2.050640 2.650526 -0.143183
C 2.362224 3.766363 -1.167951
Cl -0.154668 -2.695328 1.725950
C 2.149607 3.221584 1.290010
C 3.407304 -3.390841 -1.322863
C 0.895805 1.162308 -2.864023
C 0.586653 -1.339616 -2.740271
C -3.576269 -3.088495 0.701264
C -1.651052 3.590834 -0.900699
H 4.725456 2.642260 -0.522106
H 6.284764 0.718546 -0.753805
H 5.405357 -1.608193 -0.635447
H 1.775386 -2.468628 -0.265787
H 2.895208 -4.013970 1.322854
H 4.382218 -3.015029 1.267088
H 2.881244 -2.359996 1.983186
H 2.965366 -4.393093 -1.204015
H 3.157005 -3.017088 -2.328401
H 4.502444 -3.499220 -1.262793
H 1.011414 2.336230 -0.301280
H 1.506702 4.112745 1.385083
H 1.819196 2.483797 2.033377
H 3.189272 3.516375 1.509858
H 1.576864 4.537373 -1.117465
H 3.322335 4.256862 -0.940715
H 2.410928 3.379720 -2.196250
H -4.532868 2.874855 -0.240750
H -6.196132 1.105195 -0.791087
H -5.481861 -1.277905 -0.900350
H -1.913165 -2.405515 -0.477546
H -3.122215 -4.082906 -1.831517
H -4.567048 -3.045961 -1.912251
H -3.065349 -2.538423 -2.727113
H -3.250217 -4.141117 0.687654
H -3.223819 -2.631659 1.637403
H -4.678880 -3.063312 0.690933
H -0.925134 2.183326 0.567921
H -1.618278 4.190514 1.787336
H -3.325737 3.930304 1.332804
H -2.482982 2.754987 2.392625
H -0.910698 4.360001 -0.625960
H -1.278743 3.053776 -1.786356
H -2.587367 4.099929 -1.183237
H -1.263797 0.188081 -4.031371
H -2.063241 -0.645571 -2.676744
H -1.892744 1.121927 -2.646146
H 0.841636 1.116217 -3.963450
H 0.538132 2.149784 -2.545173
H 1.944066 1.052466 -2.567931
H 0.558999 -1.394348 -3.840395
H 1.626168 -1.446251 -2.407538
H -0.007166 -2.172057 -2.331587
H 1.316745 0.851369 3.460501
86
41-PH(TS)
C 3.469708 -0.660652 -0.220401
C 2.429413 0.248860 0.125114
C 2.734668 1.559684 0.587625
C 4.087190 1.884834 0.805154
C 5.115326 0.974706 0.541248
C 4.802469 -0.281253 0.010309
N 1.091446 -0.174320 -0.147992
C -0.046361 -0.084023 0.603984
N -0.134670 -0.121901 1.966309
C -1.350385 0.510445 2.617328
C -1.444477 2.003579 2.265294
C 1.694039 2.659955 0.784048
C 1.844217 3.735131 -0.319463
C 3.171509 -1.984282 -0.922498
C 4.010531 -3.168566 -0.395533
Ge 0.100280 -0.017755 -1.840877
P 0.676463 1.478693 -3.355982
N -1.090901 0.067471 -0.269237
C -2.483498 -0.185614 -0.105157
C -3.380974 0.859442 -0.463593
C -4.758169 0.655352 -0.270390
C -5.249606 -0.545379 0.253910
C -4.358731 -1.582022 0.551095
C -2.972253 -1.439231 0.359395
C -2.910203 2.154650 -1.124090
C -3.486460 3.422145 -0.453680
C -2.070705 -2.634604 0.649590
C -2.489113 -3.863961 -0.190169
Cl -0.213850 -2.175448 -2.394869
C -2.074074 -2.998783 2.151572
C -3.291538 2.127612 -2.624446
C 0.799286 -0.950145 2.809847
C 1.375367 -2.192070 2.108861
C 1.917937 -0.134140 3.482949
C 1.790269 3.329913 2.173428
C 3.389412 -1.808510 -2.445179
C -1.415639 0.345561 4.147519
H -5.452925 1.452695 -0.539975
H -6.322263 -0.680523 0.408806
H -4.740729 -2.533717 0.925253
H -1.049294 -2.379000 0.347021
H -1.770876 -4.684535 -0.029325
H -3.488878 -4.222121 0.105436
H -2.503576 -3.617424 -1.260686
H -1.399677 -3.850218 2.339059
H -1.745431 -2.154301 2.771821
H -3.087399 -3.288130 2.474570
H -1.813622 2.210187 -1.061088
H -2.913613 3.031300 -3.130033
H -2.865233 1.246395 -3.128261
H -4.387714 2.093822 -2.738975
H -3.059905 4.318847 -0.931538
H -4.581589 3.470765 -0.568306
H -3.251503 3.452158 0.620663
H 4.334775 2.885872 1.162524
H 6.156059 1.254535 0.718789
H 5.603754 -0.976732 -0.243399
H 2.113813 -2.231234 -0.765159
H 3.674579 -4.099102 -0.880490
H 5.081058 -3.042090 -0.625368
H 3.904503 -3.284843 0.694933
H 3.103994 -2.728255 -2.979803
H 2.787393 -0.979432 -2.849730
H 4.449778 -1.587898 -2.653252
H 0.693005 2.228306 0.683385
H 1.077870 4.517598 -0.182675
H 2.837336 4.210571 -0.257980
H 1.719074 3.287528 -1.316365
H 0.999188 4.090463 2.274047
H 1.684977 2.601261 2.989442
H 2.757529 3.842354 2.296927
H 0.153720 -1.339376 3.603225
H -2.238476 0.008956 2.216902
H 2.432675 -0.781069 4.212431
H 2.653352 0.220432 2.751652
H 1.511480 0.732267 4.022612
H 1.747172 -2.865984 2.896850
H 0.615924 -2.728593 1.527781
H 2.215434 -1.940305 1.459118
H -0.635180 2.569079 2.745811
H -1.402737 2.166732 1.182440
H -2.410809 2.388627 2.625908
H -2.287370 0.922339 4.491573
H -1.574109 -0.696313 4.462316
H -0.524636 0.743542 4.653325
H -0.677402 1.964404 -3.367228
100
42-PH(TS)
C -0.961638 2.954935 -1.907101
C -1.272715 2.046557 -0.696556
C -2.149337 2.811854 0.319828
C -3.483428 3.198635 -0.356008
C -3.244444 4.052980 -1.618315
C -2.286894 3.345086 -2.600598
N -0.052997 1.378566 -0.131356
C 1.181797 2.138272 0.212479
C 0.930948 3.345870 1.139166
C 2.288358 3.872094 1.662715
C 3.238488 4.243477 0.504540
C 3.420003 3.057660 -0.466773
C 2.050454 2.573715 -0.986513
C -0.029521 0.014983 -0.113072
N 1.036507 -0.830782 -0.244729
C 2.451625 -0.640089 -0.231835
C 3.182383 -0.515218 -1.444736
C 4.572720 -0.316310 -1.365191
C 5.233563 -0.264136 -0.132360
C 4.509143 -0.457885 1.049286
C 3.119825 -0.675550 1.025033
C 2.524389 -0.702859 -2.808970
C 2.982502 0.307755 -3.885437
C 2.393154 -0.978587 2.335410
C 3.022150 -2.198070 3.046953
N -1.152045 -0.765080 -0.032317
Ge -0.134850 -2.422880 -0.247336
P -0.113814 -4.120699 1.156933
C -2.383755 -0.479440 0.634422
C -3.584623 -0.612622 -0.113971
C -4.812585 -0.405159 0.537851
C -4.862895 -0.072071 1.895577
C -3.672951 0.049654 2.621065
C -2.416634 -0.148938 2.018494
C -3.564587 -1.036434 -1.579001
C -3.898357 -2.543994 -1.682079
C -1.167118 -0.016531 2.888765
C -1.162373 1.282309 3.728695
Cl -0.446740 -2.728756 -2.462691
C -1.023806 -1.242900 3.819745
C -4.522947 -0.212071 -2.466340
C 2.827745 -2.140519 -3.301565
C 2.374047 0.239815 3.285723
H 5.026976 -0.461921 2.010572
H 6.312365 -0.097570 -0.094740
H 5.144399 -0.209299 -2.288298
H 1.436189 -0.611106 -2.686771
H 2.305210 -2.335646 -4.251396
H 3.912763 -2.259675 -3.461615
H 2.496993 -2.891548 -2.570440
H 2.415126 0.128618 -4.812791
H 2.823835 1.353388 -3.580786
H 4.051218 0.181173 -4.123285
H 1.357297 -1.256963 2.104268
H 2.424067 -2.454297 3.935998
H 3.037939 -3.072322 2.379462
H 4.053944 -1.985262 3.371713
H 1.898559 -0.035879 4.240477
H 3.399411 0.584979 3.498778
H 1.808764 1.082170 2.861088
H -3.712996 0.297446 3.682880
H -5.824729 0.084399 2.388785
H -5.738903 -0.510937 -0.028934
H -2.545115 -0.896647 -1.963674
H -4.395815 -0.508805 -3.519904
H -5.577472 -0.385637 -2.196618
H -4.322896 0.867982 -2.381749
H -3.820614 -2.882749 -2.727257
H -3.204695 -3.148252 -1.077654
H -4.923966 -2.730605 -1.321317
H -0.282600 0.014723 2.243707
H -0.129337 -1.129493 4.455126
H -1.905738 -1.324394 4.476809
H -0.922070 -2.170001 3.236339
H -0.189307 1.388982 4.232766
H -1.336041 2.173128 3.107166
H -1.940873 1.254685 4.507698
H 1.786767 1.437802 0.795422
H 0.426534 4.149083 0.578224
H 0.280879 3.056253 1.976534
H 2.118120 4.742887 2.316798
H 2.759500 3.087371 2.279575
H 2.812341 5.100672 -0.048287
H 4.213462 4.566631 0.905134
H 4.060032 3.348021 -1.315808
H 3.922140 2.222623 0.048145
H 1.567580 3.395754 -1.532758
H 2.168401 1.732083 -1.673791
H -1.885913 1.229459 -1.093490
H -0.456159 3.873101 -1.567060
H -0.291769 2.436127 -2.609357
H -2.074338 3.993316 -3.466429
H -2.768557 2.430778 -2.989605
H -2.798285 5.019543 -1.320125
H -4.201707 4.277485 -2.117260
H -4.118413 3.742361 0.362123
H -4.020180 2.274001 -0.625290
H -1.636894 3.726600 0.652156
H -2.342456 2.186721 1.197461
H 1.327650 -4.086373 1.070659
83
43-PH(TS)
C -5.934688 -0.269854 1.542032
C -4.868763 0.230499 2.308338
C -3.585708 0.327960 1.750451
C -3.360561 -0.094305 0.425724
C -4.431707 -0.591848 -0.342585
C -5.715837 -0.674024 0.213825
C -1.995732 -0.008291 -0.163614
N -1.335895 -1.070452 -0.651368
Si -1.675211 -2.820932 -0.686755
C -0.029398 -3.584352 -1.224025
N -1.306425 1.139362 -0.278828
Ge 0.166153 0.128175 -1.263425
P 0.288434 0.584602 -3.448207
Si -1.983747 2.794448 -0.460538
C -0.599694 3.830843 -1.224197
C -3.471937 2.717439 -1.634474
C -2.505596 3.512590 1.223059
Si 1.994049 -0.085097 0.308474
Si 3.817794 -1.127866 -0.761806
C 5.073825 -1.588383 0.613739
Si 2.672468 2.133468 0.712627
C 4.378180 2.184183 1.585294
Si 1.467726 -1.088277 2.368877
C 2.740682 -0.516926 3.683178
C 2.842613 3.089187 -0.936239
C 1.378073 2.955953 1.862622
C -2.223273 -3.405539 1.034492
C -2.996066 -3.254058 -1.985149
C -0.277001 -0.573195 2.964892
C 1.561218 -2.999861 2.280494
C 3.366667 -2.719046 -1.717642
C 4.627357 0.090600 -1.987911
H -4.254326 -0.882532 -1.377458
H -6.545734 -1.047386 -0.389585
H -6.933839 -0.340563 1.976771
H -5.036017 0.545577 3.340335
H -2.750990 0.709310 2.337465
H -2.911017 -4.319343 -2.263701
H -4.020972 -3.086357 -1.618109
H -2.853081 -2.657422 -2.901923
H -0.085989 -4.685940 -1.255776
H 0.244391 -3.233974 -2.233297
H 0.792156 -3.307428 -0.547698
H -2.395682 -4.496291 1.034531
H -1.463421 -3.184250 1.800570
H -3.162848 -2.916802 1.339607
H -3.846485 3.731751 -1.859020
H -3.169289 2.246174 -2.584851
H -4.304734 2.135345 -1.208394
H -2.724234 4.589984 1.115005
H -3.414369 3.022440 1.606559
H -1.713417 3.410872 1.982860
H -0.966877 4.848541 -1.443935
H 0.269352 3.924166 -0.556762
H -0.260344 3.384517 -2.173494
H 4.270312 -3.121280 -2.210228
H 2.964746 -3.505526 -1.058792
H 2.618865 -2.514554 -2.500760
H 5.989745 -2.028008 0.179603
H 5.370107 -0.705401 1.204127
H 4.645525 -2.328139 1.311623
H 5.438394 -0.409536 -2.547388
H 3.883472 0.458624 -2.714532
H 5.062387 0.961658 -1.470499
H 2.794419 4.180005 -0.769832
H 3.815879 2.860591 -1.399153
H 2.067951 2.821362 -1.670891
H 4.682969 3.231463 1.763775
H 4.366964 1.666134 2.558124
H 5.157315 1.714010 0.961948
H 1.501872 4.052672 1.905906
H 0.355723 2.739845 1.518228
H 1.470825 2.566631 2.891552
H 2.520847 -0.979540 4.662301
H 3.767856 -0.800258 3.399063
H 2.719567 0.577552 3.814650
H 1.448122 -3.435225 3.289709
H 0.773622 -3.429592 1.642290
H 2.534295 -3.332871 1.880712
H -0.505289 -1.019556 3.949482
H -0.354963 0.522642 3.063637
H -1.051554 -0.902981 2.256753
H 0.111589 -0.821966 -3.733159
83
44-PH(TS)
C -6.008341 -0.383821 1.577681
C -4.953634 0.173233 2.319982
C -3.682599 0.310459 1.743434
C -3.457042 -0.127937 0.424053
C -4.517694 -0.681787 -0.320572
C -5.790318 -0.804041 0.254197
C -2.104532 -0.008070 -0.184723
N -1.441262 -1.050615 -0.708089
Si -1.717841 -2.810854 -0.738661
C -0.023903 -3.502326 -1.223160
N -1.430289 1.150282 -0.288402
Ge 0.035800 0.171605 -1.320397
P 0.135981 0.681222 -3.494504
Si -2.127777 2.798625 -0.448080
C -0.760069 3.855311 -1.214251
C -3.625123 2.710769 -1.609169
C -2.642694 3.498987 1.245704
Ge 1.887852 -0.092817 0.280966
Si 3.762690 -1.119620 -0.809472
C 5.006974 -1.578015 0.574888
Si 2.562044 2.163920 0.736389
C 4.256730 2.201780 1.628108
Si 1.324691 -1.119301 2.370553
C 2.593309 -0.537356 3.682557
C 2.733732 3.140237 -0.897433
C 1.244219 2.958894 1.876246
C -2.286910 -3.416616 0.968355
C -2.987456 -3.292200 -2.070155
C -0.416561 -0.564804 2.933652
C 1.415582 -3.029788 2.294189
C 3.333889 -2.695525 -1.797851
C 4.554491 0.138073 -2.005330
H -4.341871 -0.985259 -1.352244
H -6.612160 -1.221870 -0.330825
H -6.998080 -0.486618 2.027238
H -5.119992 0.500062 3.348473
H -2.855840 0.732848 2.312815
H -2.855528 -4.352249 -2.350461
H -4.026698 -3.165818 -1.727141
H -2.846577 -2.685984 -2.980876
H 0.001710 -4.604337 -1.174064
H 0.232217 -3.206635 -2.254250
H 0.769217 -3.114467 -0.566726
H -2.423982 -4.512402 0.958789
H -1.550646 -3.176902 1.751317
H -3.247726 -2.960043 1.255780
H -4.030099 3.718710 -1.807744
H -3.319422 2.267847 -2.572190
H -4.437129 2.096591 -1.187475
H -2.852381 4.579503 1.152145
H -3.555255 3.011503 1.623629
H -1.850744 3.381029 2.003485
H -1.143128 4.865995 -1.439132
H 0.107431 3.966099 -0.546917
H -0.414693 3.409377 -2.161745
H 4.248608 -3.092877 -2.274271
H 2.909817 -3.491188 -1.164493
H 2.607840 -2.473523 -2.596555
H 5.940772 -1.988844 0.150412
H 5.270749 -0.697443 1.184350
H 4.584185 -2.339044 1.253392
H 5.380135 -0.329740 -2.571548
H 3.807087 0.507037 -2.728046
H 4.965883 1.006771 -1.465141
H 2.741422 4.228954 -0.709327
H 3.680524 2.876160 -1.394843
H 1.924812 2.923226 -1.611582
H 4.557267 3.244004 1.841015
H 4.233071 1.655446 2.585131
H 5.045325 1.750595 1.002376
H 1.362813 4.055163 1.943018
H 0.232224 2.746387 1.500328
H 1.311500 2.550745 2.899797
H 2.376399 -0.994899 4.664959
H 3.621824 -0.817597 3.399596
H 2.567377 0.557866 3.807345
H 1.249455 -3.462882 3.297339
H 0.666871 -3.464319 1.614340
H 2.410279 -3.361801 1.950083
H -0.626539 -0.895288 3.966841
H -0.495788 0.534548 2.902332
H -1.202841 -0.974283 2.282288
H -0.041013 -0.718878 -3.808850
83
45-PH(TS)
C -3.624571 -0.064639 0.371152
C -4.684651 -0.687883 -0.317508
C -5.953832 -0.768269 0.271525
C -6.168530 -0.237527 1.555480
C -5.113440 0.385027 2.243102
C -3.845923 0.480474 1.650756
C -2.281959 0.009009 -0.263227
N -1.604238 1.151726 -0.453963
Si -2.189209 2.838390 -0.557206
C -0.823010 3.753189 -1.495147
N -1.635548 -1.066673 -0.740844
Ge -0.168294 0.117908 -1.456265
P -0.113118 0.472653 -3.663212
Si -1.871209 -2.822533 -0.574374
C -0.127904 -3.528561 -0.796289
C -2.595565 -3.238026 1.132804
C -2.992351 -3.484337 -1.958027
Sn 1.811122 -0.097334 0.285932
Si 3.697706 -1.386007 -0.927797
C 4.802932 -2.229898 0.391054
Si 2.763225 2.284201 0.629303
C 4.441530 2.150896 1.545466
Si 1.134567 -0.961191 2.621433
C 2.436689 -0.321887 3.873060
C 3.040062 3.160772 -1.046674
C 1.568397 3.309959 1.720012
C -3.823744 2.873747 -1.519330
C -2.424300 3.589820 1.175791
C -0.580947 -0.261648 3.100754
C 1.089391 -2.871971 2.734541
C 3.038310 -2.686264 -2.159366
C 4.723311 -0.101119 -1.900791
H -4.508249 -1.083452 -1.318099
H -6.775251 -1.241100 -0.270586
H -7.155526 -0.307282 2.017259
H -5.276671 0.793941 3.242353
H -3.019101 0.950771 2.180860
H -2.907255 -4.583163 -2.029601
H -4.054373 -3.243887 -1.788594
H -2.696427 -3.059686 -2.932061
H -0.092002 -4.607949 -0.569260
H 0.213601 -3.392203 -1.835261
H 0.597138 -3.016288 -0.143867
H -2.645297 -4.333310 1.266995
H -1.978033 -2.829653 1.948949
H -3.615239 -2.837548 1.248551
H -4.176830 3.910329 -1.661767
H -3.683701 2.420261 -2.514953
H -4.616325 2.315080 -0.995564
H -2.507692 4.688795 1.103521
H -3.342281 3.216674 1.657521
H -1.573094 3.365716 1.839936
H -1.097089 4.809798 -1.658212
H 0.131198 3.739227 -0.945266
H -0.654992 3.289234 -2.481630
H 3.869820 -3.106743 -2.753767
H 2.528664 -3.517565 -1.647850
H 2.321686 -2.223565 -2.859117
H 5.675941 -2.722884 -0.074057
H 5.181525 -1.494740 1.122085
H 4.241862 -2.998181 0.950881
H 5.565786 -0.584381 -2.428108
H 4.093340 0.402090 -2.653294
H 5.137103 0.672161 -1.233436
H 3.320300 4.219412 -0.896039
H 3.852881 2.671503 -1.607518
H 2.143178 3.134358 -1.685679
H 4.875781 3.152521 1.719112
H 4.324300 1.658536 2.525256
H 5.173068 1.565893 0.963031
H 1.950819 4.334743 1.878245
H 0.572766 3.390855 1.257115
H 1.437360 2.844299 2.712134
H 2.191827 -0.644846 4.901492
H 3.442658 -0.705299 3.631022
H 2.491262 0.779450 3.868389
H 0.871103 -3.191533 3.769921
H 0.319386 -3.308397 2.079481
H 2.060660 -3.310055 2.446863
H -0.839292 -0.522589 4.143171
H -0.600862 0.837620 3.009981
H -1.370933 -0.664488 2.448057
H -0.284419 -0.949230 -3.866710
92
46-PH(TS)
C 2.925197 -1.212022 1.537373
C 2.157329 -1.534920 0.379575
C 2.692096 -2.408616 -0.611920
C 3.944699 -3.006926 -0.379747
C 4.678839 -2.742093 0.779812
C 4.172162 -1.836478 1.717389
N 0.883144 -0.922306 0.181114
Ge 0.086932 0.529265 -1.051827
Fe 0.676249 2.825115 -0.528683
C 0.679213 2.722798 1.217402
O 0.704804 2.780909 2.388731
C 2.010159 -2.645916 -1.954532
C 2.760941 -1.836412 -3.038277
C 2.485657 -0.169321 2.562861
C 2.618011 -0.638669 4.030559
N -1.253497 -0.450868 0.091430
C -0.342811 -1.308192 0.598956
C -0.634299 -2.611241 1.386221
C -2.105472 -2.805724 1.833717
C -2.661249 -0.371385 0.327504
C -3.125870 0.386028 1.438509
C -4.504186 0.403767 1.712124
C -5.414195 -0.280098 0.898391
C -4.947016 -0.976881 -0.220621
C -3.576629 -1.034770 -0.535078
C -2.176949 1.168531 2.341000
C -2.646173 2.627569 2.546185
C -3.150722 -1.821739 -1.772777
C -3.502260 -3.325870 -1.674009
C -0.263661 -3.788891 0.442171
C 0.236184 -2.702192 2.664010
C -3.821674 -1.234604 -3.039098
C -1.983525 0.499469 3.721137
P -0.146743 0.076785 -3.245905
C -1.053845 3.069532 -0.675923
O -2.196812 3.274622 -0.822373
C 2.308855 2.518112 -1.919601
C 1.278934 3.300864 -2.526472
C 1.136512 4.513519 -1.763003
C 2.062185 4.472982 -0.683296
C 2.779394 3.227171 -0.770916
C 1.940718 -4.131786 -2.371718
C 3.339932 1.103576 2.362681
H 4.350565 -3.684225 -1.133025
H 5.647195 -3.220606 0.942421
H 4.755654 -1.600115 2.609023
H 1.435276 0.090501 2.375110
H 3.054853 1.882430 3.085796
H 4.408152 0.865981 2.495385
H 3.192391 1.495634 1.348481
H 2.174699 0.119134 4.696800
H 2.115499 -1.599346 4.207943
H 3.677021 -0.751347 4.314421
H 0.984862 -2.254812 -1.916602
H 2.232395 -1.911120 -4.000517
H 2.811911 -0.769977 -2.766503
H 3.791639 -2.212953 -3.154134
H 1.369221 -4.216086 -3.309984
H 2.944490 -4.549560 -2.554144
H 1.446272 -4.749922 -1.607257
H -5.655140 -1.497455 -0.868433
H -6.482133 -0.257776 1.126836
H -4.863856 0.967626 2.574934
H -1.199328 1.189745 1.848707
H -1.304870 1.110363 4.338875
H -2.948695 0.412134 4.247355
H -1.551225 -0.506707 3.631561
H -1.863056 3.194908 3.071967
H -2.861002 3.119369 1.588000
H -3.560338 2.662444 3.161339
H -2.062858 -1.727904 -1.894742
H -3.393829 -1.701925 -3.940377
H -4.907111 -1.429546 -3.029236
H -3.672665 -0.146379 -3.105551
H -3.214512 -3.833883 -2.609314
H -2.980902 -3.823108 -0.843381
H -4.586394 -3.465599 -1.530152
H -2.146453 -3.755771 2.390253
H -2.457711 -2.005589 2.494586
H -2.799682 -2.877079 0.992689
H -0.575691 -4.732386 0.919082
H -0.774817 -3.700954 -0.527577
H 0.817349 -3.827897 0.269612
H -0.059657 -3.606568 3.219742
H 1.302789 -2.779886 2.435062
H 0.076958 -1.832320 3.315881
H 0.676173 2.979263 -3.371479
H 2.658876 1.550371 -2.269044
H 3.557265 2.898544 -0.089367
H 2.174680 5.218968 0.098696
H 0.415042 5.303165 -1.956025
H -1.562769 0.059930 -3.033095
152
47-PH(TS)
C 1.900767 3.395126 -1.407885
C 2.568797 2.540507 -0.492008
C 3.499894 3.057921 0.451610
C 3.750298 4.441839 0.442182
C 3.096686 5.298649 -0.451281
C 2.177523 4.771863 -1.366293
N 2.241462 1.158864 -0.462893
C 2.934442 0.107120 -0.925597
C 4.050373 0.141420 -1.999132
C 5.319631 -0.582354 -1.496519
C 4.257982 2.177979 1.446733
C 4.030950 2.626174 2.907431
C 0.886139 2.867566 -2.419640
C 1.216903 3.279586 -3.873015
Ge 0.943620 -0.006556 0.637358
N 2.419238 -1.018792 -0.383441
C 2.822973 -2.377824 -0.516241
C 3.787803 -2.916354 0.389303
C 4.095516 -4.285667 0.300416
C 3.475008 -5.119092 -0.636041
C 2.520459 -4.583132 -1.506004
C 2.174065 -3.220945 -1.463339
C 4.495634 -2.088168 1.463801
C 6.039913 -2.201143 1.383835
C 1.058198 -2.720578 -2.379465
C -0.302527 -3.204398 -1.839969
Ge -1.177922 -0.004151 -0.924274
N -2.326338 1.051651 0.414173
C -2.779679 2.405392 0.391137
C -3.745623 2.800229 -0.574983
C -4.067754 4.163568 -0.690167
C -3.467616 5.123841 0.132421
C -2.541600 4.716611 1.098684
C -2.184827 3.364853 1.249294
C -4.462759 1.797546 -1.471897
C -5.997699 1.884996 -1.307235
C -1.156427 2.975646 2.300497
C 0.242444 3.453228 1.862934
N -2.326439 -1.133839 0.363823
C -2.925490 -0.051519 0.907124
C -4.054263 -0.100517 1.955326
C -3.527675 -0.927851 3.156896
C -2.714609 -2.508064 0.371011
C -2.063443 -3.437181 1.227878
C -2.373797 -4.804804 1.100101
C -3.280455 -5.265391 0.142544
C -3.907076 -4.344475 -0.705094
C -3.646312 -2.967291 -0.610063
C -0.992752 -3.032674 2.237109
C -1.275311 -3.568189 3.661651
C -4.369483 -2.014432 -1.560353
C -3.724177 -1.991785 -2.964815
C -4.473805 1.288830 2.485646
C -5.317100 -0.793041 1.385208
C -5.879782 -2.321021 -1.685375
C 0.388487 -3.556925 1.783126
C -4.066473 1.953444 -2.955998
C -1.485501 3.535407 3.702645
P 1.110501 0.178212 2.868711
C 4.066019 -2.535901 2.880659
C 1.211912 -3.173146 -3.850073
C 5.777219 2.175971 1.147616
C -0.529943 3.357351 -2.053589
C 3.516816 -0.607438 -3.247713
C 4.464654 1.558976 -2.458663
H 4.833369 -4.702063 0.988715
H 3.728284 -6.180601 -0.682191
H 2.021103 -5.232826 -2.226884
H 1.058956 -1.620830 -2.360205
H -1.119630 -2.891912 -2.504391
H -0.324522 -4.303000 -1.759868
H -0.494664 -2.806430 -0.836646
H 0.428988 -2.694826 -4.460848
H 2.192954 -2.906657 -4.269744
H 1.085285 -4.263933 -3.943694
H 4.204971 -1.035467 1.342259
H 4.563138 -1.908868 3.638752
H 2.983810 -2.441883 3.019180
H 4.354727 -3.586440 3.051939
H 6.495178 -1.493729 2.096390
H 6.366740 -3.214963 1.668000
H 6.433970 -1.989631 0.381951
H 4.469149 4.850168 1.155390
H 3.301930 6.371408 -0.433668
H 1.664830 5.436399 -2.064902
H 0.888591 1.767427 -2.372228
H 0.468286 2.848896 -4.558384
H 1.187173 4.375298 -3.987306
H 2.213294 2.932913 -4.187729
H -1.270578 2.974974 -2.771592
H -0.819793 3.032572 -1.046101
H -0.575624 4.458430 -2.064978
H 3.878649 1.149517 1.369715
H 4.595955 1.965814 3.585719
H 4.380688 3.660703 3.063143
H 2.969838 2.554024 3.177669
H 6.293115 1.481745 1.831907
H 5.998574 1.871138 0.114639
H 6.201990 3.182047 1.299762
H 5.232024 1.434104 -3.239553
H 3.623646 2.111358 -2.890002
H 4.890461 2.164288 -1.650845
H 6.110688 -0.472775 -2.256251
H 5.678519 -0.144463 -0.556436
H 5.138798 -1.651093 -1.341710
H 4.253616 -0.505882 -4.061113
H 3.385204 -1.671872 -3.033693
H 2.558947 -0.186815 -3.591025
H -5.213053 1.125938 3.286229
H -3.621199 1.832202 2.909026
H -4.936109 1.913355 1.710366
H -6.102628 -0.769199 2.158114
H -5.693285 -0.268319 0.495968
H -5.122238 -1.839631 1.125762
H -4.269093 -0.880956 3.971362
H -3.396380 -1.975569 2.869694
H -2.566414 -0.535658 3.523016
H -4.804228 4.469854 -1.436392
H -3.726505 6.179769 0.026138
H -2.078099 5.457020 1.753283
H -1.872348 -5.516649 1.758391
H -3.496885 -6.332393 0.053637
H -4.614607 -4.698238 -1.457116
H -1.124569 1.879954 2.378035
H -0.758918 3.136613 4.428163
H -1.417387 4.636030 3.721080
H -2.497818 3.253180 4.033110
H 0.994021 3.168806 2.612156
H 0.531605 3.005799 0.902998
H 0.262958 4.548183 1.734722
H -4.158027 0.792650 -1.164430
H -6.484869 1.078596 -1.880315
H -6.291616 1.789856 -0.250352
H -6.382191 2.847891 -1.680625
H -4.641099 1.247334 -3.578657
H -4.272691 2.976867 -3.310237
H -2.995758 1.741959 -3.094371
H -0.940962 -1.936145 2.289580
H -0.538417 -3.137236 4.358176
H -2.282026 -3.307269 4.018687
H -1.174943 -4.665954 3.699313
H 1.138625 -3.367924 2.563776
H 0.352547 -4.642605 1.595591
H 0.733293 -3.071500 0.861635
H -4.279309 -1.006579 -1.145943
H -6.371744 -1.512420 -2.250550
H -6.055106 -3.261601 -2.232063
H -6.359187 -2.401556 -0.698882
H -4.321176 -1.360889 -3.644776
H -2.707185 -1.575305 -2.923680
H -3.676105 -3.010009 -3.385257
H 1.403875 -1.222292 2.953256
168
48-PH(TS)
C -1.986885 -3.528874 -0.655020
C -2.725232 -2.535807 0.059628
C -3.839281 -2.910106 0.866957
C -4.242115 -4.259515 0.863394
C -3.564289 -5.227425 0.118546
C -2.431472 -4.860896 -0.616112
N -2.288492 -1.185956 -0.022735
C -3.025627 -0.107052 -0.411697
N -4.204650 -0.173388 -1.136929
C -4.302423 -1.200700 -2.216238
C -3.860544 -0.658571 -3.594020
C -4.535235 -1.946080 1.826847
C -3.890116 -2.065617 3.228707
C -0.726012 -3.165958 -1.443389
C -1.073035 -2.460573 -2.771300
Ge -0.832643 -0.018792 0.832240
N -2.392727 1.011611 0.020087
C -2.700798 2.378618 -0.206142
C -3.331465 3.110909 0.843861
C -3.688219 4.448769 0.605162
C -3.402484 5.073663 -0.614980
C -2.722621 4.363140 -1.609993
C -2.354062 3.017256 -1.428342
C -3.650109 2.484049 2.202477
C -5.173453 2.386154 2.448414
C -1.488233 2.337948 -2.487058
C -0.055484 2.919755 -2.408991
Ge 0.945352 0.017621 -1.083741
N 2.353080 -1.018810 -0.029022
C 2.729408 -2.389050 0.045499
C 3.442249 -2.950969 -1.055436
C 3.779483 -4.313615 -1.018596
C 3.419781 -5.119568 0.068963
C 2.704730 -4.560661 1.132800
C 2.343810 -3.199171 1.145828
C 3.853895 -2.111580 -2.265030
C 5.363332 -2.223100 -2.578990
C 1.505786 -2.662679 2.298340
C 0.074242 -3.237769 2.216388
N 2.278568 1.181360 -0.040960
C 2.988761 0.100640 0.392253
N 4.153181 0.192873 1.130516
C 5.236490 -0.806741 0.932371
C 6.581714 -0.167731 0.512650
C 2.822590 2.491040 -0.209514
C 2.233954 3.581486 0.490658
C 2.805969 4.862039 0.361357
C 3.912010 5.087107 -0.458371
C 4.451164 4.021205 -1.189129
C 3.926778 2.720696 -1.091179
C 0.998516 3.433672 1.376325
C 1.338351 3.584151 2.877135
C 4.494984 1.618821 -1.987321
C 3.603948 1.427176 -3.238192
C 4.107537 1.111528 2.310880
C 5.468221 1.712586 2.689455
C 3.410251 0.450864 3.515696
C 5.946456 1.866422 -2.458560
C -0.086103 4.466150 0.991900
C 3.023358 -2.480364 -3.513332
C 2.090613 -2.970568 3.693576
P -0.728749 0.095647 3.079328
C -2.999853 3.275762 3.359477
C -2.009404 2.494767 -3.932765
C -6.056881 -2.197473 1.949006
C 0.209901 -4.361120 -1.703198
C -5.233548 0.897443 -0.988280
C -5.543341 1.683109 -2.272531
C -6.540686 0.413018 -0.327150
C -5.668921 -1.896471 -2.305697
C 5.451415 -1.783080 2.100273
H -4.189801 5.008382 1.397360
H -3.686783 6.115328 -0.780310
H -2.457560 4.862036 -2.544185
H -1.435119 1.263345 -2.256037
H 0.608277 2.422735 -3.133046
H -0.073601 3.998613 -2.635469
H 0.377960 2.807960 -1.404909
H -1.347541 1.944194 -4.621136
H -3.029330 2.104811 -4.054770
H -2.006129 3.552259 -4.242512
H -3.224474 1.470798 2.230563
H -3.207514 2.766166 4.313906
H -1.909150 3.332179 3.239277
H -3.400583 4.301867 3.417767
H -5.361725 1.929503 3.434190
H -5.638851 3.386587 2.440363
H -5.673119 1.771906 1.687818
H -5.093418 -4.560494 1.474825
H -3.898799 -6.267178 0.132096
H -1.880721 -5.627295 -1.160382
H -0.155947 -2.448879 -0.829006
H -0.159706 -2.268114 -3.355268
H -1.748111 -3.089630 -3.375221
H -1.559619 -1.497951 -2.581569
H 1.155693 -3.998130 -2.122944
H 0.437637 -4.903847 -0.774502
H -0.234214 -5.065361 -2.426784
H -4.384158 -0.915404 1.480030
H -4.396273 -1.386126 3.935438
H -3.991357 -3.099494 3.600808
H -2.828563 -1.786934 3.200323
H -6.524015 -1.367380 2.502847
H -6.544450 -2.282436 0.965571
H -6.262040 -3.120692 2.514226
H -3.590867 -1.982541 -1.946190
H -4.806562 1.612692 -0.287176
H 4.916146 -1.397673 0.073546
H 3.489725 1.957358 2.000407
H 4.328319 -4.746708 -1.857650
H 3.689796 -6.177964 0.082217
H 2.409930 -5.186384 1.977330
H 2.367315 5.692007 0.917629
H 4.345238 6.086393 -0.542507
H 5.294178 4.209292 -1.854435
H 1.427239 -1.572109 2.204759
H 1.448416 -2.501285 4.455172
H 2.118252 -4.056070 3.887648
H 3.107767 -2.572024 3.815405
H -0.538579 -2.846072 3.041851
H -0.413070 -2.968594 1.271268
H 0.089366 -4.339077 2.277220
H 3.635497 -1.061484 -2.041406
H 5.626226 -1.527058 -3.392512
H 5.982226 -1.978240 -1.702425
H 5.627058 -3.241319 -2.908207
H 3.350795 -1.880896 -4.379056
H 3.141369 -3.547835 -3.762647
H 1.957301 -2.277896 -3.337694
H 0.589155 2.423757 1.236763
H 0.415281 3.519392 3.475000
H 2.013723 2.791454 3.225363
H 1.808731 4.563540 3.068099
H -1.008768 4.270594 1.551969
H 0.243057 5.489858 1.234543
H -0.328705 4.429129 -0.077739
H 4.496026 0.681477 -1.418284
H 6.350515 0.941427 -2.898652
H 5.980372 2.649068 -3.234102
H 6.605035 2.181435 -1.634672
H 3.990945 0.602782 -3.860740
H 2.565153 1.192064 -2.967461
H 3.605833 2.350987 -3.840594
H -6.160768 2.554229 -2.002351
H -4.622993 2.050503 -2.740363
H -6.110933 1.078670 -2.995797
H -7.147927 1.301932 -0.089937
H -7.139292 -0.237883 -0.975533
H -6.330748 -0.114210 0.608245
H -5.571978 -2.751198 -2.993590
H -5.980316 -2.275463 -1.322664
H -6.446677 -1.230135 -2.707273
H -3.665346 -1.511388 -4.263918
H -4.627077 -0.025381 -4.060389
H -2.934212 -0.076083 -3.504676
H 5.291508 2.487847 3.451086
H 6.147648 0.965038 3.124640
H 5.951647 2.181450 1.820910
H 3.339186 1.181126 4.339249
H 2.385582 0.142711 3.253837
H 3.970615 -0.421326 3.879180
H 7.192452 -0.941715 0.019081
H 6.422081 0.652865 -0.194475
H 7.153656 0.210575 1.369850
H 6.224792 -2.513212 1.811477
H 5.799291 -1.259559 3.002834
H 4.530240 -2.330701 2.327225
H -0.715518 1.527100 2.923740
84
49-PH(TS)
C 3.850748 -1.595825 1.275355
C 3.837586 -0.988731 0.004753
C 4.931331 -1.174670 -0.863093
C 6.020050 -1.966337 -0.468912
C 6.027705 -2.571566 0.798763
C 4.943294 -2.381369 1.670933
C 2.662279 -0.178948 -0.434414
N 2.543203 1.151192 -0.353205
C 3.366956 2.153549 0.357358
C 2.698574 3.518242 0.091953
Ge 0.856057 1.191056 -1.468462
N 1.545295 -0.675780 -1.007446
C 1.337022 -1.965990 -1.693979
C -0.167610 -2.004545 -2.041044
Ge -0.699662 1.418313 0.559794
P -0.655098 2.733236 2.389893
N -2.525199 1.129943 -0.248320
C -3.243715 1.735754 -1.389521
C -2.644203 3.146932 -1.566255
C -2.622496 -0.105539 0.266399
N -1.492469 -0.410889 0.924847
C -1.291056 -1.342186 2.058867
C -2.175883 -0.925898 3.256050
C -3.820063 -0.988774 0.157346
C -4.944431 -0.735536 0.966615
C -6.073528 -1.562476 0.880262
C -6.091250 -2.638365 -0.023366
C -4.973427 -2.889225 -0.836206
C -3.837802 -2.071036 -0.742459
C -2.999523 0.906956 -2.671651
C -4.759561 1.863524 -1.114077
C -1.575480 -2.808792 1.664429
C 0.199243 -1.198017 2.438807
C 2.169298 -2.023607 -2.996120
C 1.678273 -3.180221 -0.799038
C 3.364685 1.875676 1.877532
C 4.813386 2.172353 -0.189191
H -2.960839 -2.269119 -1.359516
H -4.983394 -3.723956 -1.540213
H -6.972893 -3.278821 -0.093516
H -4.924796 0.110905 1.654505
H 4.926317 -0.691348 -1.841244
H 6.862823 -2.106693 -1.148990
H 6.876201 -3.186281 1.106190
H 4.946113 -2.845966 2.659138
H 3.003693 -1.451461 1.946181
H 5.357521 3.020415 0.257097
H 5.351607 1.247702 0.059820
H 4.805689 2.298264 -1.284009
H 3.943636 2.659913 2.391841
H 2.333992 1.900349 2.263400
H 3.827628 0.902901 2.099401
H 3.289664 4.317738 0.564946
H 2.646462 3.715472 -0.992515
H 1.684422 3.534742 0.525714
H 1.350126 -4.100961 -1.308323
H 2.756782 -3.256912 -0.611162
H 1.155866 -3.110321 0.166057
H 1.924565 -2.935371 -3.566191
H 1.949886 -1.144201 -3.622386
H 3.244659 -2.038053 -2.764980
H -0.421337 -2.958417 -2.529921
H -0.762672 -1.887983 -1.124248
H -0.425086 -1.182626 -2.730102
H 0.457513 -1.913122 3.235455
H 0.825789 -1.392463 1.555744
H 0.404647 -0.179542 2.806500
H -1.923131 -1.537876 4.138201
H -2.009551 0.137988 3.485310
H -3.239018 -1.083898 3.019357
H -1.284819 -3.465765 2.500265
H -2.640904 -2.970925 1.455098
H -0.992919 -3.095585 0.776099
H -3.483538 1.393518 -3.534239
H -1.918679 0.832362 -2.872841
H -3.415468 -0.105771 -2.563258
H -3.151017 3.667771 -2.393000
H -2.767041 3.733828 -0.642943
H -1.569897 3.083126 -1.805675
H -5.220729 2.466117 -1.913544
H -5.252279 0.882549 -1.093942
H -4.928881 2.368136 -0.150474
H -6.940158 -1.364463 1.514295
H -1.492940 3.692515 1.707857
103
50-PH(TS)
C 6.328640 -0.312004 0.448454
C 5.547119 0.257414 -0.573871
C 6.170216 0.743386 -1.738514
C 7.562593 0.653564 -1.881828
C 8.340630 0.087969 -0.857565
C 7.721702 -0.391264 0.309122
C 4.063318 0.342613 -0.428060
N 3.399038 1.447995 -0.075157
C 3.853559 2.611910 0.706074
C 2.614072 3.519449 0.867459
Ge 1.567227 0.535092 -0.309898
N 3.201302 -0.666323 -0.640671
C 3.384677 -1.874258 -1.480593
C 4.687138 -2.645068 -1.158697
C 1.438268 0.009388 1.641042
C 1.934179 -1.214318 2.225130
C 1.455614 -1.330498 3.573093
C 0.664006 -0.166386 3.856303
C 0.649126 0.650408 2.673196
Fe -0.118121 -1.185101 2.268299
C -2.106218 -0.941201 1.929903
C -1.450474 -1.369292 0.714410
C -0.810146 -2.632927 1.013048
C -1.093022 -2.982169 2.377512
C -1.895725 -1.934648 2.946042
Ge -1.769492 -0.633426 -1.086464
P -0.761274 -0.926913 -3.048298
N -3.776792 -0.825649 -1.019203
C -4.690688 -1.981130 -0.848450
C -5.835726 -1.925041 -1.885988
C -3.924748 0.457942 -0.668918
N -2.722408 1.064633 -0.631320
C -2.333228 2.496635 -0.695873
C -3.512007 3.482082 -0.842832
C -5.218627 1.098170 -0.301638
C -5.455501 1.439869 1.043868
C -6.665783 2.042027 1.414530
C -7.639086 2.320142 0.439725
C -7.400813 1.988693 -0.904296
C -6.195630 1.373948 -1.274727
C -3.836070 -3.239452 -1.116212
C -5.263253 -2.058955 0.585292
C -1.400228 2.667352 -1.917323
C -1.551401 2.810799 0.597121
C 2.183413 -2.796205 -1.184071
C 3.364047 -1.463440 -2.970859
C 4.967657 3.404362 -0.016532
C 4.334569 2.160829 2.106693
H 5.836340 -0.698745 1.342137
H 8.323072 -0.832221 1.106982
H 9.424965 0.020863 -0.968474
H 8.039977 1.026606 -2.790451
H 5.559083 1.191224 -2.523908
H 2.256517 -3.704184 -1.803902
H 2.175459 -3.092560 -0.123396
H 1.237164 -2.289374 -1.433542
H 4.643589 -3.623501 -1.663814
H 5.583528 -2.118873 -1.511348
H 4.781587 -2.816127 -0.074601
H 3.464078 -2.355023 -3.612133
H 2.411967 -0.965486 -3.210022
H 4.203244 -0.782600 -3.187088
H 2.880814 4.422729 1.438147
H 2.226208 3.821860 -0.118371
H 1.819549 2.985843 1.412657
H 5.164217 4.340336 0.532313
H 5.902458 2.830649 -0.067285
H 4.651676 3.657127 -1.041084
H 4.561508 3.042096 2.729776
H 3.549949 1.565330 2.597063
H 5.247114 1.552435 2.022997
H -5.999599 1.118234 -2.316778
H -8.152375 2.210176 -1.664680
H -8.579693 2.794607 0.726892
H -6.848098 2.296739 2.460518
H -4.690421 1.222744 1.791125
H -6.400012 -2.871532 -1.858395
H -6.531270 -1.104149 -1.665409
H -5.424487 -1.788492 -2.898114
H -5.846555 -2.988352 0.691109
H -4.443370 -2.071275 1.318861
H -5.927566 -1.210253 0.799691
H -4.473252 -4.135753 -1.065213
H -3.377080 -3.185534 -2.115806
H -3.039325 -3.332230 -0.363100
H -3.087236 4.489881 -0.971549
H -4.120495 3.247077 -1.728283
H -4.165297 3.493527 0.039514
H -1.169446 3.844196 0.571363
H -2.198014 2.689500 1.481377
H -0.699287 2.122867 0.683667
H -1.068271 3.716936 -1.977658
H -0.511809 2.025826 -1.822656
H -1.925072 2.396895 -2.845451
H -2.643561 -0.003513 2.047014
H -2.229350 -1.876091 3.980692
H -0.716529 -3.855513 2.906601
H -0.209705 -3.208481 0.313016
H 0.098725 1.582523 2.571017
H 0.127302 0.033123 4.782302
H 1.619019 -2.170828 4.246033
H 2.533911 -1.948324 1.694495
H -1.508082 -2.158677 -3.195106
69
51-PH(TS)
C -2.538291 2.266160 0.853294
C -1.502090 1.445278 0.364219
N -0.372114 2.028364 -0.147328
C -0.215642 3.370109 -0.197163
C -1.203544 4.220920 0.291802
C -2.382178 3.655351 0.822621
C -1.419400 -0.035351 0.243496
Si -1.168176 -0.745312 2.022675
C -2.502232 -0.030638 3.195810
Ge 0.262696 0.262192 -1.008405
P 0.036846 0.493698 -3.230090
C 1.937962 -0.400142 -0.126024
C 2.966328 0.486465 0.277216
C 4.064430 -0.015928 1.004454
C 4.179709 -1.380753 1.280169
C 3.212508 -2.270828 0.791462
C 2.091881 -1.802000 0.083556
C 2.957585 1.976828 -0.069561
C 2.758880 2.853485 1.186143
C 1.097937 -2.792807 -0.527316
C 1.403103 -2.984978 -2.034365
Si -2.919126 -0.801884 -0.716754
C -2.316901 -2.322337 -1.694369
C -4.310031 -1.369464 0.466929
C -3.646195 0.495832 -1.896329
C 1.052706 -4.170510 0.163741
C 4.240496 2.387242 -0.829643
C -1.349996 -2.647612 2.061136
C 0.494353 -0.199156 2.773996
H 0.709898 3.735886 -0.639318
H -1.060050 5.300613 0.252931
H -3.174995 4.302647 1.202598
H -3.442276 1.803230 1.245125
H -3.149527 -2.724127 -2.298339
H -1.504041 -2.059711 -2.390315
H -1.963904 -3.135040 -1.038313
H -5.104571 -1.864697 -0.119499
H -3.961327 -2.086178 1.226641
H -4.776751 -0.520669 0.995006
H -4.458637 0.051660 -2.498408
H -4.066042 1.360064 -1.353888
H -2.860826 0.855216 -2.582543
H -0.551468 -3.093228 2.676977
H -2.315595 -2.934215 2.509632
H -1.293879 -3.111247 1.067392
H -2.396198 -0.518003 4.181827
H -2.373618 1.052989 3.352467
H -3.532080 -0.208942 2.848940
H 0.427032 -0.254633 3.875371
H 1.342958 -0.815782 2.446992
H 0.726861 0.844523 2.507326
H 3.332966 -3.340449 0.967841
H 5.032543 -1.757022 1.849984
H 4.838549 0.674036 1.347394
H 0.088330 -2.355364 -0.442400
H 0.646745 -3.644256 -2.492104
H 1.407715 -2.027366 -2.577454
H 2.393897 -3.454546 -2.152087
H 0.196623 -4.748080 -0.219601
H 1.966153 -4.746447 -0.057415
H 0.953759 -4.080643 1.255049
H 2.127965 2.163351 -0.767643
H 4.176931 3.445824 -1.132290
H 5.134331 2.268592 -0.196731
H 4.369025 1.769826 -1.731699
H 2.760526 3.924332 0.919863
H 1.808612 2.620817 1.689985
H 3.577060 2.679939 1.903761
H 0.407111 1.882718 -3.075960
77
53-PH(TS)
N 0.773532 1.881841 -0.362907
C 1.735439 1.305551 0.414994
C 2.517641 2.107937 1.276583
C 2.322139 3.492999 1.282447
C 1.362080 4.067294 0.429181
C 0.604725 3.213154 -0.379456
C 1.861305 -0.152256 0.142287
Si 3.318555 -0.183377 -1.202251
C 3.475114 -1.939649 -1.910251
Ge 0.028289 -0.225160 -0.927613
P 0.115996 -0.838886 -3.099966
C -1.854176 0.135339 -0.000823
Si -2.004705 0.309039 1.924456
C -3.847077 0.522130 2.411758
C -2.263418 -1.296571 -0.214286
C -3.549520 -1.869712 -0.206929
C -3.684773 -3.254359 -0.379977
C -2.539527 -4.049228 -0.556939
C -1.292403 -3.419276 -0.549431
N -1.166065 -2.090879 -0.378159
Si -2.874247 1.548997 -0.853163
C -4.711053 1.079062 -1.094325
C -2.871613 3.162386 0.181329
C -2.238280 2.076537 -2.569448
Si 2.260915 -1.327320 1.611252
C 1.682197 -0.590990 3.278192
C 1.545504 -3.057927 1.260780
C 4.118977 -1.668809 1.913345
C 3.083970 1.201702 -2.484796
C 4.999789 0.297908 -0.404056
C -1.542179 -1.334163 2.777805
C -1.026328 1.767238 2.665723
H -4.423519 -1.242375 -0.057198
H -4.677638 -3.709196 -0.375393
H -2.609856 -5.128320 -0.698240
H -0.363953 -3.973588 -0.690158
H 1.574770 -1.397722 4.024049
H 2.445264 0.108129 3.661596
H 0.730237 -0.051493 3.230373
H 4.186638 -2.307883 2.812624
H 4.598579 -2.212082 1.084214
H 4.706520 -0.758573 2.105981
H 2.000340 -3.790050 1.950750
H 0.455878 -3.123714 1.361365
H 1.803461 -3.363930 0.232390
H -1.539501 -1.193758 3.872844
H -2.298248 -2.099885 2.537419
H -0.563205 -1.732939 2.492906
H -3.914602 0.616011 3.510703
H -4.341775 1.399171 1.971147
H -4.428375 -0.370686 2.127382
H -0.975114 1.643538 3.762077
H 0.004593 1.833379 2.291964
H -1.520244 2.728739 2.462757
H -3.358716 3.945025 -0.427290
H -3.432139 3.084679 1.124465
H -1.860433 3.516574 0.427154
H -5.233314 1.937166 -1.553412
H -4.831666 0.218172 -1.771787
H -5.222433 0.848338 -0.145799
H -2.741302 3.020206 -2.849797
H -1.150607 2.243291 -2.605565
H -2.472817 1.323735 -3.337272
H 3.264267 1.641143 1.917861
H 2.918956 4.126097 1.942641
H 1.197889 5.144731 0.398690
H -0.165250 3.591840 -1.052923
H 5.610592 0.764217 -1.197545
H 5.565253 -0.554614 -0.003553
H 4.898591 1.046228 0.398761
H 3.707948 -2.667308 -1.113698
H 4.296616 -1.977916 -2.647128
H 2.550602 -2.248483 -2.421174
H 3.260976 2.185091 -2.013516
H 2.091187 1.183196 -2.951950
H 3.841383 1.073748 -3.279365
H -0.621768 0.293240 -3.565144
68
54-PH(TS)
C -3.294213 1.213874 -0.220700
C -2.914706 -0.129426 0.088181
C -3.960166 -1.084265 0.312228
C -5.310573 -0.702803 0.178336
C -5.662788 0.607876 -0.152579
C -4.654865 1.558679 -0.338064
Ge -1.012655 -0.920498 0.111515
N -0.089028 0.163596 -1.473354
Ge 1.315734 1.087843 -0.325849
P 1.537601 3.281174 -0.577056
C -3.710509 -2.547721 0.713613
C -4.375145 -2.885146 2.068765
C -2.294073 2.351150 -0.408975
C -2.376803 2.987868 -1.813693
C 2.691596 -0.331440 0.020089
C 3.247126 -0.417110 1.330029
C 4.103546 -1.488964 1.646524
C 4.438385 -2.453353 0.690018
C 3.970821 -2.311748 -0.619933
C 3.123983 -1.245049 -0.978998
C 3.061145 0.673548 2.393807
C 2.573733 0.118222 3.752355
C 2.773925 -1.095399 -2.462147
C 4.051598 -0.933714 -3.320729
N 0.051950 0.570032 1.187831
C 1.924998 -2.283894 -2.972945
C 4.380698 1.462601 2.566742
C -4.180733 -3.520400 -0.391308
C -2.443197 3.431119 0.685751
H -6.093923 -1.446254 0.341481
H -6.714065 0.889137 -0.253661
H -4.921843 2.591031 -0.575627
H 0.252992 -0.486452 -2.184337
H -0.661667 0.865269 -1.955621
H -0.494661 1.368694 1.528724
H 0.525807 0.153650 1.993837
H 4.279830 -3.027171 -1.385025
H 5.090926 -3.288403 0.954812
H 4.526260 -1.556860 2.651090
H 2.317582 1.408823 2.048546
H 4.250325 2.263971 3.312712
H 5.187908 0.794404 2.908071
H 4.680886 1.917936 1.611114
H 2.364963 0.946082 4.448883
H 1.660950 -0.493811 3.650393
H 3.342701 -0.522505 4.211792
H 2.209096 -0.160509 -2.603725
H 3.778769 -0.773111 -4.376915
H 4.645423 -0.073714 -2.974969
H 4.682388 -1.835032 -3.263338
H 1.611583 -2.121300 -4.017847
H 2.517750 -3.211855 -2.937514
H 1.031176 -2.449152 -2.347754
H -1.275855 1.973501 -0.308766
H -1.550144 3.705141 -1.938380
H -2.304698 2.220710 -2.605146
H -3.333485 3.516324 -1.956154
H -1.638859 4.175876 0.577695
H -3.417912 3.940228 0.610760
H -2.377659 2.981599 1.691748
H -2.629957 -2.710757 0.846071
H -4.132508 -3.920179 2.362040
H -4.022671 -2.203623 2.859548
H -5.471919 -2.797091 2.008161
H -3.984683 -4.564178 -0.093868
H -5.262385 -3.411928 -0.574247
H -3.653910 -3.320898 -1.338552
H 1.499787 3.107331 -2.011075
36
55-PH(TS)
C -1.098643 3.323319 -1.481910
C 0.074139 2.353598 -1.255605
N -0.093025 1.420987 -0.066997
Ge 1.415435 0.018475 0.094781
P 2.962251 0.058759 1.677625
Ge -1.584056 -0.008520 -0.735261
N -0.042971 -1.414173 -0.133719
C -0.209881 -2.353012 1.046503
C -0.291061 -1.750369 2.449765
C -0.314937 2.297359 1.154429
C -0.369255 1.637070 2.532417
Cl -3.077919 -0.095724 0.960434
Cl 2.239033 0.126819 -2.021312
C 0.173867 -2.277364 -1.365193
C -0.960387 -3.275336 -1.652979
H 1.014367 2.912343 -1.118460
H 0.197148 1.731672 -2.149349
H -0.972483 3.791718 -2.470268
H -2.065650 2.792243 -1.480400
H -1.140564 4.122952 -0.729140
H -1.268187 2.818829 0.987853
H 0.487625 3.056736 1.141761
H -0.522391 2.446258 3.265684
H -1.213082 0.945437 2.613867
H 0.565391 1.119354 2.779114
H 0.283472 -1.605727 -2.224438
H 1.132954 -2.807186 -1.243070
H -0.801978 -3.698300 -2.657084
H -0.987951 -4.106490 -0.934340
H -1.944402 -2.776799 -1.647620
H -1.131782 -2.922564 0.861782
H 0.636218 -3.062218 0.999414
H -0.320161 -2.593932 3.159061
H 0.584502 -1.133810 2.688402
H -1.204903 -1.163477 2.584889
H 2.823953 -1.374896 1.778705
57
56-PH(TS)
C 1.179040 -1.886105 -2.523308
C 0.103792 -2.445441 -1.572626
C 0.638545 -3.579857 -0.676615
N -0.473756 -1.385146 -0.741348
C -1.792999 -1.125020 -0.616448
C -2.858802 -2.001998 -1.235197
Ge 0.105062 -0.016576 0.581046
P 0.221002 -0.189015 2.817853
N 2.142385 0.197884 -0.173417
C 1.808811 1.400958 -0.609929
C 2.740475 2.414107 -1.235595
N -1.975303 -0.031080 0.108101
C -3.164179 0.326710 0.892963
C -3.671501 -0.827974 1.781313
N 0.496476 1.641854 -0.398362
C -0.280041 2.704749 -1.044923
C -1.228480 3.355140 -0.024323
C 3.502076 -0.143795 0.267873
C 3.555799 -1.639409 0.613650
C 3.906491 0.706792 1.491810
C -4.277475 0.959559 0.031149
C -1.034268 2.166289 -2.278492
H -0.705057 -2.858955 -2.198422
H 1.556845 -2.690989 -3.175106
H 0.751641 -1.089609 -3.153181
H 2.013597 -1.459657 -1.952225
H 1.103801 -4.371118 -1.287636
H 1.386963 -3.188248 0.025378
H -0.182335 -4.021297 -0.089443
H -3.860838 -1.647067 -0.978705
H -2.756896 -1.998197 -2.332962
H -2.745754 -3.044022 -0.895261
H -2.796305 1.099860 1.587715
H -5.071696 1.357517 0.684149
H -3.876763 1.785907 -0.575754
H -4.738125 0.226227 -0.649598
H -4.472852 -0.461820 2.444339
H -4.077402 -1.661562 1.186408
H -2.835250 -1.188963 2.399648
H 2.768711 3.336505 -0.633619
H 3.757226 2.011013 -1.317245
H 2.384406 2.684167 -2.242692
H 4.210319 0.048915 -0.562466
H 4.558517 -1.903706 0.984839
H 2.819085 -1.855214 1.403832
H 3.335235 -2.259803 -0.267656
H 4.908379 0.415875 1.849959
H 3.926170 1.778588 1.234517
H 3.163818 0.550452 2.290615
H 0.432039 3.477239 -1.381758
H -1.580499 2.981803 -2.781665
H -0.328124 1.719585 -2.997471
H -1.751354 1.395205 -1.962815
H -1.798162 4.168775 -0.501778
H -1.937781 2.611938 0.360873
H -0.659377 3.766731 0.823171
H 0.328496 -1.623228 2.668106
67
57-PH(TS)
C -2.829215 -0.002784 -0.204666
P -2.200273 -1.437759 0.669657
C -2.743387 -2.942696 -0.324424
Si -4.464295 0.157839 -1.071901
C -4.925802 2.000183 -1.335796
P -1.614438 1.223380 -0.190880
C -2.047907 2.824544 0.657187
C -4.427197 -0.666817 -2.802138
C -5.872820 -0.667668 -0.074950
C -1.059169 1.827577 -1.868896
Ge 0.118230 0.279656 1.139129
P 0.218606 0.323412 3.371619
C -3.199673 -1.707566 2.229298
P 1.514569 -1.209830 -0.038175
C 0.758872 -2.096000 -1.485896
C 1.998453 -2.606631 1.085738
C 2.778374 -0.075438 -0.435305
Si 4.483793 -0.535649 -1.012560
C 5.648008 -0.960523 0.445284
P 2.193837 1.487471 0.159576
C 2.373054 2.814270 -1.151469
C 3.252967 2.177167 1.527282
C 4.390845 -2.078591 -2.143480
C 5.278670 0.906211 -1.985032
H 2.784857 -3.218689 0.615099
H 2.377807 -2.177915 2.024881
H 1.121883 -3.239210 1.298465
H 0.001820 -2.816019 -1.143244
H 0.285046 -1.359656 -2.151311
H 1.551850 -2.623174 -2.039548
H -3.838387 -2.964093 -0.453009
H -2.278015 -2.914585 -1.321514
H -2.435695 -3.868028 0.191319
H -4.282581 -1.638551 2.038998
H -2.969029 -2.699564 2.654905
H -2.898095 -0.939311 2.958412
H -2.908289 3.295225 0.157274
H -2.308608 2.598334 1.701614
H -1.188798 3.515723 0.636394
H -1.947342 2.104682 -2.459747
H -0.397878 2.702356 -1.777956
H -0.526887 1.018326 -2.390893
H 1.935498 3.762142 -0.795234
H 3.435743 2.981632 -1.388682
H 1.853966 2.494771 -2.066361
H 2.978362 3.225288 1.734469
H 3.063924 1.573458 2.429145
H 4.321980 2.131183 1.261090
H -6.834642 -0.583870 -0.611639
H -5.682085 -1.741205 0.093199
H -5.993858 -0.194962 0.914368
H -5.864491 2.084866 -1.911137
H -5.075442 2.519031 -0.373780
H -4.151581 2.552617 -1.896995
H 6.661123 -1.231365 0.096996
H 5.747408 -0.105585 1.136240
H 5.257427 -1.808986 1.033601
H 6.270568 0.616004 -2.373937
H 4.655220 1.213347 -2.841325
H 5.427289 1.792611 -1.343832
H 3.958322 -2.948330 -1.617315
H 3.775040 -1.889163 -3.039201
H 5.397834 -2.376502 -2.484663
H -3.650952 -0.210718 -3.442092
H -4.195559 -1.742983 -2.724815
H -5.394735 -0.569265 -3.327501
H -0.025313 1.748927 3.356211
97
59-PH(TS)
C 2.923918 3.369538 0.673518
C 2.051945 2.863234 -0.317037
C 1.200565 3.761259 -1.005785
C 1.183460 5.116389 -0.671719
C 2.032014 5.618483 0.332374
C 2.902736 4.736684 0.988129
N 1.987807 1.510372 -0.675287
N 2.763626 0.587379 0.133871
C 4.166121 0.500997 -0.141046
C 4.976210 -0.213691 0.765333
C 6.352237 -0.322491 0.532380
C 6.935974 0.298913 -0.585167
C 6.125028 1.026014 -1.470689
C 4.742008 1.128595 -1.260038
Ge 0.430300 0.484931 -1.246823
P 0.312644 -0.398631 -3.276823
P 1.799934 -0.874000 0.240014
C 1.432097 -1.155748 1.997761
C 0.583645 -2.231303 2.338111
C 0.220495 -2.426266 3.676847
C 0.690266 -1.551832 4.671673
C 1.529991 -0.479087 4.328510
C 1.901955 -0.275557 2.992029
C 2.743776 -2.296700 -0.371857
C 3.107913 -3.369362 0.470716
C 3.839881 -4.444632 -0.049499
C 4.219109 -4.451420 -1.402472
C 3.863608 -3.379880 -2.238325
C 3.127709 -2.300475 -1.732419
N -1.042503 1.095673 -0.217151
N -2.212983 0.335516 -0.472235
P -2.638922 -0.693727 0.899517
C -4.490577 -0.667647 0.886124
C -5.110123 0.535926 1.288806
C -6.507431 0.633352 1.339497
C -7.304687 -0.476877 1.013919
C -6.695905 -1.683686 0.634426
C -5.297554 -1.777930 0.564821
C -1.154541 2.110080 0.771711
C -2.328183 2.893496 0.865865
C -2.423402 3.902305 1.833560
C -1.356763 4.155412 2.712395
C -0.200024 3.365201 2.628434
C -0.106983 2.337200 1.683398
C -2.966342 0.632795 -1.637392
C -3.851631 -0.326910 -2.172505
C -4.602310 -0.030058 -3.315787
C -4.473775 1.211204 -3.959833
C -3.573487 2.155632 -3.441726
C -2.825588 1.877148 -2.290850
C -2.215412 -2.404480 0.327794
C -2.390350 -3.474877 1.235435
C -1.852840 -4.740354 0.957074
C -1.112958 -4.950381 -0.221345
C -0.948751 -3.896944 -1.135125
C -1.508189 -2.635824 -0.869096
H 0.537571 3.378805 -1.786834
H 0.499319 5.785863 -1.197882
H 2.017311 6.679008 0.589820
H 3.578511 5.110110 1.761721
H 3.602462 2.698142 1.196870
H 4.523188 -0.681289 1.641604
H 6.970960 -0.886459 1.233846
H 8.011191 0.222659 -0.757837
H 6.567711 1.516863 -2.340205
H 4.104868 1.684485 -1.945749
H 0.203234 -2.904950 1.569477
H -0.440251 -3.255308 3.936714
H 0.394892 -1.700871 5.712233
H 1.890064 0.204456 5.099981
H 2.539231 0.563100 2.706866
H 2.833121 -1.476757 -2.386464
H 4.157654 -3.381258 -3.289630
H 4.794152 -5.289209 -1.802810
H 4.119331 -5.273498 0.604221
H 2.824101 -3.362164 1.523247
H -3.151678 2.709684 0.177245
H -3.334668 4.502921 1.888966
H -1.430653 4.950815 3.456618
H 0.637046 3.538848 3.307576
H 0.778584 1.710777 1.644778
H -3.934457 -1.304995 -1.705121
H -5.281755 -0.787142 -3.714170
H -5.055532 1.433337 -4.856457
H -3.447778 3.122569 -3.934780
H -2.124091 2.611398 -1.896860
H -2.929533 -3.311902 2.172893
H -1.997131 -5.559400 1.666088
H -0.672796 -5.928980 -0.424762
H -0.388142 -4.048184 -2.060045
H -1.395477 -1.829801 -1.595704
H -4.831419 -2.712735 0.248279
H -7.309726 -2.550430 0.378057
H -8.393480 -0.402189 1.058398
H -6.974329 1.574347 1.639349
H -4.494287 1.397278 1.558232
H 0.327467 0.934379 -3.829999
87
60-PH(TS)
C 1.219001 4.252508 -0.333638
N 0.264033 3.235736 -0.412430
C 0.841485 2.049310 -0.749110
N 2.165880 2.328800 -0.904321
C 2.426859 3.676036 -0.644698
C -1.177476 3.460436 -0.314428
Ge 0.016747 0.228501 -1.111271
P 0.024248 0.102046 -3.392720
C 3.135775 1.341953 -1.392721
C 3.797882 4.272443 -0.708314
C 0.864807 5.660350 0.027621
Si -2.026077 -0.352120 0.186394
Si -2.927878 1.008468 1.879619
C -1.575110 1.861035 2.940437
Si 1.260717 -1.364380 0.351326
Si 2.629015 -0.517700 2.081881
C 2.244555 1.313164 2.510430
Si -0.833303 -2.170972 1.147980
C -1.325512 -3.863319 0.385963
Si -3.718859 -0.809437 -1.381329
C -4.014014 0.797892 -2.372747
C -1.008563 -2.331524 3.055684
Si 2.490425 -2.922695 -0.908490
C 1.392918 -3.749332 -2.233213
C 3.928938 -2.038014 -1.816339
C 3.222489 -4.267603 0.249201
C 2.434231 -1.549950 3.686511
C 4.498489 -0.621189 1.637729
C -3.167923 -2.182214 -2.588800
C -5.342968 -1.352111 -0.513018
C -4.152505 2.321126 1.195190
C -3.962251 -0.082376 3.070444
H -2.356338 -4.134576 0.674671
H -1.279435 -3.832016 -0.713143
H -0.651983 -4.667066 0.731589
H -2.028144 -2.657516 3.324454
H -0.298946 -3.076596 3.453390
H -0.813158 -1.376015 3.568984
H -6.132947 -1.558307 -1.258023
H -5.194080 -2.272475 0.078202
H -5.724072 -0.574149 0.170983
H -4.795200 0.651929 -3.140423
H -4.328650 1.633853 -1.724934
H -3.076445 1.077207 -2.885379
H -3.938821 -2.345747 -3.363612
H -2.235550 -1.890855 -3.100930
H -2.999411 -3.142611 -2.073795
H -4.522081 2.964689 2.014275
H -3.732999 2.976060 0.415578
H -5.025980 1.812613 0.753145
H -4.455706 0.543253 3.836584
H -4.749723 -0.631389 2.527583
H -3.333312 -0.821892 3.590540
H -2.025724 2.531123 3.694866
H -0.990759 1.097132 3.481061
H -0.859125 2.449727 2.344873
H 3.833263 -4.991207 -0.320958
H 3.866549 -3.825840 1.029116
H 2.423357 -4.834099 0.758315
H 4.555600 -2.773422 -2.352425
H 3.521503 -1.336912 -2.563585
H 4.581217 -1.478892 -1.125654
H 2.003048 -4.400164 -2.885596
H 0.601364 -4.370296 -1.783452
H 0.919302 -2.980391 -2.867543
H 5.099291 -0.321442 2.515779
H 4.789625 -1.650267 1.369113
H 4.791670 0.033055 0.800187
H 3.161022 -1.210475 4.446922
H 1.424607 -1.460255 4.116533
H 2.621236 -2.621134 3.498212
H 2.889569 1.655288 3.340181
H 2.413994 1.984383 1.652623
H 1.196571 1.440190 2.825534
H 4.074707 1.853341 -1.634667
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H -1.440711 3.824734 0.687465
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H -1.686001 2.510302 -0.505566
H 0.742280 1.352262 -3.503273
35
61-PH(TS)
C 3.142440 -0.056005 1.449966
C 2.766348 -0.535130 0.027730
N 1.275404 -0.675731 0.004863
Ge 0.009589 0.706578 -0.482613
P 0.084871 2.679698 0.575653
C 3.481572 -1.864665 -0.297695
C 3.195400 0.528648 -1.005835
C 0.656752 -1.849379 0.283938
C -0.732996 -1.811506 0.310991
N -1.305269 -0.607629 0.044163
C -2.798497 -0.477134 0.029318
C -3.272967 -0.525674 1.500624
C -3.201216 0.870873 -0.597846
C -3.447601 -1.618103 -0.789502
H 1.215334 -2.776848 0.396033
H 4.560848 -1.668732 -0.383352
H 3.343310 -2.614983 0.496377
H 3.124110 -2.281152 -1.252949
H 4.233876 0.082167 1.520010
H 2.641237 0.899939 1.664995
H 2.831130 -0.802768 2.197845
H 4.290681 0.639676 -0.972473
H 2.900420 0.223510 -2.022463
H 2.739833 1.503079 -0.772255
H -4.297815 0.964272 -0.561855
H -2.747309 1.713100 -0.055320
H -2.880247 0.920309 -1.651112
H -4.370101 -0.433375 1.541079
H -2.981419 -1.478418 1.970479
H -2.822377 0.302608 2.067776
H -4.531492 -1.437450 -0.855234
H -3.031170 -1.640339 -1.808629
H -3.302370 -2.605231 -0.324567
H -1.340429 -2.703985 0.450652
H 0.317700 3.400615 -0.649546
67
62-PH(TS)
C -3.530615 -1.048143 -0.335421
C -2.681212 0.081829 -0.355036
C -3.169818 1.398971 -0.161449
C -4.551199 1.561700 0.046448
C -5.416010 0.459419 0.054322
C -4.906434 -0.830404 -0.135701
N -1.268530 -0.116108 -0.535107
C -0.693831 0.126082 -1.750665
C 0.692548 0.119985 -1.752890
N 1.268942 -0.126229 -0.538860
Ge 0.002195 -0.163353 0.905184
P 0.011566 -1.707638 2.493427
C -2.241754 2.612371 -0.105061
C -2.093094 3.096638 1.356709
C -3.003424 -2.465954 -0.539584
C -3.559425 -3.069900 -1.850243
C 2.682004 0.070299 -0.361409
C 3.523777 -1.063934 -0.290060
C 4.902673 -0.845610 -0.114334
C 5.421240 0.448565 0.013193
C 4.562417 1.554523 -0.030868
C 3.178602 1.391196 -0.221308
C 2.980673 -2.483094 -0.434180
C 3.443421 -3.395274 0.722576
C 2.255441 2.609333 -0.190234
C 2.726309 3.734886 -1.137390
C 2.122652 3.129456 1.261080
C 3.379649 -3.071856 -1.807731
C -2.717215 3.762967 -1.019588
C -3.332475 -3.363676 0.674149
H 1.314556 0.374406 -2.610324
H -1.316379 0.384175 -2.606685
H 5.572928 -1.705813 -0.069727
H 6.494020 0.595957 0.156514
H 4.967398 2.560873 0.092424
H 1.883335 -2.436056 -0.391042
H 2.999888 -4.397478 0.605139
H 4.540208 -3.509194 0.731713
H 3.118477 -2.980167 1.688390
H 2.969132 -4.088911 -1.922022
H 2.999555 -2.446273 -2.632088
H 4.476997 -3.130060 -1.901320
H 1.251848 2.306008 -0.522199
H 1.425013 3.982985 1.300922
H 1.745022 2.336489 1.926908
H 3.101968 3.460668 1.643976
H 2.003532 4.567078 -1.118083
H 3.706220 4.133561 -0.829319
H 2.815507 3.371167 -2.173615
H -4.949910 2.564684 0.210828
H -6.486359 0.606637 0.214924
H -5.580260 -1.689143 -0.123289
H -1.908607 -2.418093 -0.627563
H -2.938044 -4.379562 0.506587
H -2.872822 -2.954142 1.586538
H -4.422294 -3.440852 0.824880
H -3.154365 -4.083867 -2.003425
H -4.659020 -3.142248 -1.811477
H -3.289123 -2.448819 -2.720010
H -1.242730 2.313121 -0.454795
H -1.393945 3.948129 1.409885
H -3.067819 3.419310 1.758149
H -1.709472 2.287363 1.998975
H -1.990494 4.591355 -0.987228
H -2.818536 3.425170 -2.063418
H -3.692165 4.158078 -0.691767
H 0.010701 -0.720558 3.541174
37
63-PH(TS)
C 3.021656 -0.121535 1.483384
C 2.754449 -0.492714 0.004655
C 3.256678 0.636360 -0.919872
N 1.288292 -0.680422 -0.215533
Ge 0.025419 0.666976 -0.123532
P 0.181073 2.848672 0.187963
C 3.517995 -1.789675 -0.352015
C 0.676894 -1.947125 0.217142
C -0.808286 -1.920510 -0.181572
N -1.333676 -0.562585 0.042658
C -2.811357 -0.391536 0.028753
C -3.422289 -1.083327 -1.215205
C -3.397871 -1.019755 1.318378
C -3.183411 1.101449 -0.003169
H 0.772868 -2.077904 1.314684
H -0.911152 -2.203597 -1.246393
H 4.599147 -1.587642 -0.311308
H 3.299367 -2.604498 0.355818
H 3.261606 -2.123619 -1.370232
H 4.104720 -0.047207 1.676360
H 2.556386 0.850122 1.713300
H 2.604472 -0.888601 2.156539
H 4.337273 0.784016 -0.763084
H 3.084266 0.367569 -1.974545
H 2.738977 1.582736 -0.700230
H -4.280288 1.195168 0.033554
H -2.748656 1.641693 0.849901
H -2.817279 1.582101 -0.923186
H -4.493477 -0.903161 1.323094
H -3.173055 -2.095697 1.385556
H -2.983695 -0.515510 2.204788
H -4.509971 -0.912504 -1.232738
H -2.985122 -0.665985 -2.136369
H -3.248472 -2.170496 -1.202978
H -1.364122 -2.659539 0.416969
H 1.159450 -2.808627 -0.269240
H 0.158206 3.059148 -1.239422
43
64-PH(TS)
C -3.683775 -0.859149 -0.862907
C -2.785143 -0.142203 0.173450
N -1.350060 -0.300384 -0.180705
C -0.820047 -1.655832 -0.455780
C -0.763084 -1.936115 -1.972020
C -3.038741 -0.745146 1.578545
C -3.164564 1.350036 0.198763
Ge 0.034898 0.902880 -0.032671
P 0.245991 3.095951 -0.185545
N 1.266016 -0.463985 -0.104442
C 2.750409 -0.305061 -0.019825
C 3.467926 -1.663813 -0.176146
C 0.601286 -1.754642 0.167179
C 0.544515 -2.091314 1.671074
C 3.206623 0.617242 -1.174083
C 3.146994 0.336691 1.333214
H -4.104092 -0.652645 1.845716
H -2.769940 -1.812488 1.614670
H -2.438644 -0.208282 2.330202
H -4.739727 -0.731178 -0.577656
H -3.534239 -0.427237 -1.864028
H -3.471209 -1.938042 -0.907089
H -4.235451 1.442331 0.439973
H -2.586737 1.899356 0.957314
H -2.971357 1.823058 -0.774859
H 4.300027 0.751841 -1.134644
H 2.938343 0.168879 -2.144256
H 2.729467 1.605619 -1.089796
H 4.553881 -1.487795 -0.156002
H 3.219513 -2.360766 0.638692
H 3.212777 -2.135838 -1.138281
H 4.241041 0.463461 1.391702
H 2.675977 1.328179 1.425531
H 2.821209 -0.293592 2.175147
H 1.133578 -2.560154 -0.361171
H 0.075459 -3.078076 1.826326
H 1.551389 -2.110912 2.111625
H -0.052137 -1.330499 2.199333
H -1.742735 -1.784993 -2.443486
H -0.036683 -1.253761 -2.441149
H -0.436626 -2.974603 -2.153738
H -1.460560 -2.406643 0.033437
H 0.134776 3.179770 1.252377
43
65-PH(TS)
C 3.443284 0.473342 -0.923936
C 2.838559 -0.527789 0.082774
N 1.358712 -0.574620 -0.115243
C 0.616655 -1.728334 0.394579
C -0.863463 -1.647118 -0.080187
C -0.909568 -2.113405 -1.560513
C 3.162067 -0.084005 1.529595
C 3.455896 -1.920074 -0.186044
Ge 0.229619 0.876553 -0.126379
P 0.669891 3.037216 0.071234
N -1.263936 -0.204141 0.049599
C -2.692998 0.251660 0.102817
C -2.784496 1.766200 -0.192295
C -3.590394 -0.451009 -0.945806
C -3.271429 0.029183 1.526469
C -1.648108 -2.631863 0.812600
H 4.249699 -0.106958 1.709650
H 2.799195 0.942919 1.693399
H 2.678800 -0.757828 2.256320
H 4.536539 0.510647 -0.791721
H 3.220654 0.154075 -1.955000
H 3.036018 1.482949 -0.762667
H 4.552742 -1.829687 -0.177687
H 3.171412 -2.653664 0.584628
H 3.142868 -2.300097 -1.171853
H -3.844931 2.062275 -0.158865
H -2.228051 2.365893 0.540251
H -2.385841 2.000927 -1.191359
H -4.607386 -0.034949 -0.868767
H -3.214003 -0.259056 -1.961954
H -3.662387 -1.535352 -0.794862
H -4.264508 0.502760 1.594102
H -3.388182 -1.033485 1.771854
H -2.609382 0.496416 2.271725
H 1.037090 -2.672838 0.016393
H 0.651667 -1.765631 1.503705
H -1.169949 -3.622065 0.731523
H -1.612227 -2.315611 1.864855
H -2.696540 -2.744396 0.509582
H -1.921405 -2.069549 -1.978261
H -0.244307 -1.480440 -2.166979
H -0.554839 -3.155482 -1.628112
H 0.731630 3.160879 -1.365086
49
66-PH(TS)
C 3.544464 -0.818361 0.237157
C 2.789173 0.469870 0.615023
N 1.324009 0.275971 0.450534
C 0.433746 1.272547 1.069335
C -0.989928 1.167506 0.449944
C -1.204262 2.128316 -0.783285
C -1.127900 3.595497 -0.296353
C 3.271171 1.621973 -0.301447
C 3.109932 0.812018 2.091614
Ge 0.361315 -1.074810 -0.330986
P 0.862515 -2.602395 -1.844483
N -1.259854 -0.251024 0.107743
C -2.302362 -0.981677 0.894823
C -1.909568 -1.027734 2.394600
C -3.685880 -0.305670 0.754631
C -2.426954 -2.425163 0.363636
C -0.155025 1.906272 -1.893764
C -2.603296 1.901804 -1.393262
H 4.347616 1.799463 -0.146099
H 3.105926 1.360619 -1.357471
H 2.737630 2.560565 -0.082276
H 4.626398 -0.647546 0.354599
H 3.245295 -1.648592 0.897191
H 3.335259 -1.118733 -0.799451
H 4.201463 0.882880 2.217294
H 2.668346 1.773308 2.395509
H 2.729372 0.021472 2.757706
H -2.668099 -1.573689 2.979649
H -0.939289 -1.538671 2.512227
H -1.821395 -0.012471 2.812806
H -4.417773 -0.862683 1.360795
H -3.674555 0.734512 1.110196
H -4.017050 -0.312733 -0.292815
H -3.272140 -2.923081 0.864267
H -2.594230 -2.426298 -0.722966
H -1.519179 -3.016591 0.567114
H 0.384404 1.114670 2.162460
H 0.841288 2.280188 0.905115
H -1.703642 1.493824 1.222025
H -2.735051 2.563065 -2.265285
H -2.714248 0.858678 -1.719471
H -3.399507 2.130775 -0.667782
H -0.338201 2.614696 -2.718591
H 0.868914 2.056357 -1.526615
H -0.231264 0.889295 -2.314602
H -1.406443 4.273829 -1.119021
H -1.827448 3.768180 0.539507
H -0.116461 3.880072 0.034845
H 0.895327 -3.623332 -0.825937
41
67-PH(TS)
C -0.703334 3.819151 -0.238439
C 0.703418 3.819136 -0.238441
C 1.408039 2.613954 -0.160320
C 0.717951 1.383217 -0.085752
C -0.717915 1.383234 -0.085749
C -1.407979 2.613984 -0.160316
N 1.317524 0.116672 -0.021972
Ge -0.000012 -1.206276 0.047186
P -0.000060 -3.321463 -0.577110
N -1.317517 0.116704 -0.021972
Si -3.105644 -0.150590 0.124184
C -3.912569 0.448171 -1.487289
Si 3.105648 -0.150642 0.124173
C 3.740025 0.804854 1.641044
C 3.440978 -1.991044 0.384271
C 3.912562 0.448104 -1.487309
C -3.440997 -1.990997 0.384223
C -3.740003 0.804883 1.641074
H -2.496229 2.627966 -0.178048
H -1.253486 4.759515 -0.307305
H 1.253590 4.759488 -0.307307
H 2.496290 2.627919 -0.178055
H 4.835593 0.694296 1.725416
H 3.509867 1.880671 1.615660
H 3.293995 0.391563 2.561921
H 4.534357 -2.148362 0.422999
H 3.016316 -2.354882 1.334355
H 3.020087 -2.615665 -0.417957
H 5.012952 0.390413 -1.418057
H 3.595746 -0.190160 -2.329448
H 3.641790 1.486304 -1.736670
H -4.534376 -2.148286 0.423038
H -3.020197 -2.615583 -0.418083
H -3.016257 -2.354899 1.334246
H -4.835608 0.694576 1.725296
H -3.294188 0.391383 2.561963
H -3.509582 1.880647 1.615834
H -5.012950 0.390206 -1.418122
H -3.642034 1.486466 -1.736518
H -3.595540 -0.189921 -2.329478
H -0.000037 -3.777156 0.789632
46
68-PH(TS)
C 0.792164 3.668653 0.281994
C -0.469787 3.790214 -0.324234
C -1.202360 2.631022 -0.617891
C -0.635289 1.384959 -0.306921
C 0.683513 1.380162 0.268032
N 1.368285 2.489248 0.579082
N -1.182347 0.124519 -0.492885
Ge -0.041519 -1.217217 0.110883
P -0.062546 -3.383245 -0.238567
N 1.199882 0.110584 0.495374
C 2.566895 -0.091398 1.006541
C 3.662388 -0.215519 -0.092738
C 5.001195 -0.402613 0.657067
C -2.547179 -0.101214 -0.987295
C -3.669812 -0.119368 0.094170
C -4.978779 -0.469984 -0.649493
C -3.381419 -1.200722 1.155237
C -3.823603 1.250576 0.784313
C 3.402233 -1.442939 -0.988138
C 3.733205 1.053715 -0.965302
H 2.806940 0.753194 1.668718
H -2.778316 0.664747 -1.746462
H -2.544941 -1.081314 -1.489257
H 2.562199 -1.019114 1.599579
H 1.370677 4.559829 0.541391
H -0.878757 4.775941 -0.551550
H -2.193782 2.691935 -1.064261
H 4.230944 -1.566615 -1.704907
H 3.308507 -2.365319 -0.393827
H 2.473148 -1.322016 -1.568431
H 5.828474 -0.500854 -0.064241
H 5.211822 0.462952 1.307460
H 4.980890 -1.311777 1.281520
H 4.556413 0.957194 -1.693107
H 2.796206 1.197992 -1.524734
H 3.899980 1.949778 -0.350003
H -4.243061 -1.296208 1.836071
H -3.188605 -2.178497 0.686163
H -2.502417 -0.934635 1.765577
H -4.618089 1.197078 1.546801
H -2.889735 1.555196 1.279432
H -4.102498 2.032262 0.058321
H -5.823973 -0.486583 0.057167
H -5.199467 0.276862 -1.431129
H -4.907901 -1.461824 -1.125844
H -0.388776 -3.614310 1.146737
26
70-PH(TS)
C -0.249189 2.733120 -0.109655
N -0.017674 1.288684 -0.120245
C 1.220029 0.744039 -0.097782
C 2.378589 1.564073 -0.072582
C 3.738029 1.238446 -0.081158
C 4.365511 -0.012745 -0.106435
C 3.724699 -1.259430 -0.122947
C 2.363850 -1.570640 -0.121738
C 1.211926 -0.737665 -0.119453
N -0.029057 -1.266851 -0.154703
C -0.278809 -2.708099 -0.199908
Ge -1.463822 0.017374 -0.060545
P -3.066993 -0.052650 -1.580106
Cl -1.840371 -0.075081 2.169518
H 2.177566 2.634649 -0.045359
H 4.407410 2.103166 -0.062043
H 5.457172 -0.018493 -0.107500
H 4.385733 -2.130691 -0.132414
H 2.150777 -2.639263 -0.124671
H -1.360880 -2.876040 -0.282431
H 0.214405 -3.163673 -1.075028
H 0.088316 -3.200022 0.717027
H -1.330262 2.915236 -0.176338
H 0.131700 3.186695 0.821460
H 0.243326 3.215538 -0.970947
H -2.952448 1.383642 -1.689936
38
71-PH(TS)
C 1.455811 3.157404 0.522110
C 0.076249 2.765770 -0.034656
N -0.153377 1.299317 0.060141
C -1.389725 0.741954 0.082378
C -2.562555 1.544915 0.025311
C -3.922875 1.224589 0.066542
C -4.555322 -0.018812 0.151474
C -3.906376 -1.259458 0.186117
C -2.545261 -1.564375 0.157640
C -1.380234 -0.744460 0.119886
N -0.141378 -1.286524 0.090209
C 0.105436 -2.748075 -0.041863
C 1.539965 -3.118603 0.370974
C -0.089935 3.219497 -1.498829
Ge 1.288066 0.015239 0.038023
P 2.774680 -0.116393 -1.602510
Cl 1.857464 -0.019117 2.232547
C -0.180577 -3.187413 -1.492586
H -2.348267 -2.633401 0.172821
H -4.559628 -2.135373 0.234533
H -5.646663 -0.024738 0.175477
H -4.586607 2.092611 0.017657
H -2.382020 2.612191 -0.074967
H -0.673231 3.262029 0.603017
H -0.571287 -3.267690 0.656450
H 1.546791 4.254072 0.484699
H 1.574180 2.822184 1.561566
H 2.270730 2.727557 -0.081642
H 0.032479 4.312111 -1.571330
H 0.676111 2.732531 -2.121417
H -1.080694 2.946042 -1.892353
H 1.640810 -4.213957 0.327762
H 2.280335 -2.689143 -0.322927
H 1.764783 -2.779472 1.391295
H -0.039938 -4.276060 -1.588403
H -1.208541 -2.935786 -1.794886
H 0.519407 -2.672423 -2.168595
H 2.571704 1.282814 -1.880575
33
72-PH(TS)
C 2.700583 1.459878 0.930872
C 2.416004 0.149224 0.488874
C 3.044808 -0.335696 -0.680267
C 3.927923 0.484132 -1.397286
C 4.205847 1.788198 -0.955290
C 3.591300 2.271205 0.210938
P 1.304593 -0.976088 1.455254
Ge -0.302119 -1.533466 -0.172466
P -0.103017 -2.229190 -2.254153
C 0.174744 0.210400 2.418873
C -1.235396 -0.395052 2.655569
P -2.231361 -0.967387 1.136787
C -2.350039 0.603769 0.124402
C -2.182774 1.894627 0.679233
C -2.358607 3.039071 -0.111424
C -2.685959 2.919816 -1.472922
C -2.851372 1.645117 -2.036479
C -2.693143 0.495849 -1.248029
H 0.102187 1.157098 1.864644
H 0.638750 0.420533 3.397315
H -1.851886 0.333816 3.209557
H -1.156619 -1.287335 3.298832
H 2.814672 -1.337655 -1.048733
H 4.393488 0.101793 -2.308223
H 4.896594 2.422666 -1.514572
H 3.804419 3.282227 0.565895
H 2.237765 1.848769 1.839646
H -2.820409 -0.490467 -1.699920
H -3.104188 1.539035 -3.093447
H -2.812412 3.813743 -2.086939
H -2.236284 4.027075 0.338305
H -1.935776 2.011321 1.735204
H -0.079231 -3.564969 -1.689355
79
73-PH(TS)
C -4.012137 0.054061 -0.706160
C -2.706293 0.499774 -0.328424
C -2.509257 1.876855 -0.006487
C -3.610635 2.756403 -0.020381
C -4.891012 2.311166 -0.355157
C -5.081923 0.971035 -0.704059
Ge -1.220153 -0.843057 -0.046456
P -1.149127 -3.098897 -0.234886
C -1.153248 2.496688 0.346214
C -1.123597 3.012167 1.802349
C -4.318200 -1.403143 -1.064358
C -5.349142 -1.566210 -2.203228
C -0.297273 -0.407670 1.661318
N -0.795935 -0.486923 2.899818
C -2.163114 -0.901185 3.196184
C 1.083003 -0.134639 1.427601
N 1.878859 -0.005222 2.565870
C 3.140040 0.247374 2.640113
C 1.444100 -0.083547 0.038084
N 0.460122 -0.221542 -0.865489
C 0.673437 -0.239723 -2.311720
C 2.865843 0.002736 -0.408623
C 3.438215 1.253566 -0.745723
C 4.803080 1.292280 -1.080615
C 5.570163 0.118199 -1.102487
C 4.975693 -1.115312 -0.807615
C 3.614281 -1.198118 -0.460863
C 2.604415 2.531962 -0.690228
C 2.868745 3.473678 -1.884081
C 2.979741 -2.554371 -0.152148
C 3.594526 -3.177932 1.121079
C 3.111332 -3.514154 -1.356298
C 2.828847 3.267960 0.651022
C -0.783092 3.626050 -0.645027
C -4.779622 -2.167801 0.196519
H 0.264354 0.681475 -2.762003
H 1.741112 -0.317839 -2.558965
H 0.139338 -1.104379 -2.738610
H 5.569050 -2.030759 -0.849129
H 6.629768 0.165185 -1.364367
H 5.267492 2.247695 -1.330813
H 1.901545 -2.426429 0.032629
H 3.095878 -4.134878 1.344649
H 4.671984 -3.371430 0.984060
H 3.467755 -2.508097 1.985363
H 2.590659 -4.459145 -1.134405
H 2.661184 -3.075460 -2.261277
H 4.168463 -3.742115 -1.572999
H 1.544356 2.245811 -0.733897
H 2.213045 4.181750 0.693797
H 2.560175 2.625516 1.502819
H 3.887374 3.559204 0.754797
H 2.157609 4.314681 -1.856986
H 3.886742 3.894383 -1.847658
H 2.749306 2.943924 -2.842651
H 3.579495 0.310152 3.644467
H 3.815372 0.407179 1.790040
H -0.110308 -0.445094 3.657405
H -2.427366 -0.576479 4.212767
H -2.850201 -0.426764 2.479558
H -2.271793 -1.998318 3.124661
H -6.079469 0.627458 -0.980512
H -5.734199 3.006460 -0.355263
H -3.454820 3.806486 0.235931
H -3.390742 -1.885228 -1.402143
H -5.376706 -2.622604 -2.515135
H -6.368363 -1.289927 -1.885198
H -5.082435 -0.949817 -3.076770
H -4.982482 -3.222681 -0.049392
H -3.996767 -2.150300 0.970759
H -5.696405 -1.714158 0.611412
H -0.371354 1.739219 0.261289
H -0.126613 3.419810 2.037232
H -1.868603 3.810229 1.954250
H -1.338173 2.195366 2.507797
H 0.199249 4.049482 -0.384155
H -0.735469 3.242506 -1.677034
H -1.523060 4.441357 -0.618028
H -0.396989 -2.975217 -1.460619
63
74-PH(TS)
C 1.980219 -3.081601 0.271154
Si 2.783700 -1.398056 -0.129880
C 3.802250 -0.939512 1.409446
C 1.475840 -0.018031 -0.504739
Si 2.349513 1.719481 -0.424195
C 4.158663 1.665019 -1.043979
C 3.841210 -1.694904 -1.691515
Ge 0.008030 -0.168248 0.852894
C -1.493336 0.080359 -0.452795
Si -2.476502 -1.580780 -0.655118
C -3.330333 -1.584747 -2.362621
C 0.683147 -0.222322 -1.842795
C -0.722920 0.447788 -1.773262
P 0.062245 -0.431164 3.051035
Si -2.683335 1.499382 0.121852
C -3.355038 1.268173 1.884805
C -1.737692 3.159652 0.087460
C -4.133231 1.653948 -1.110998
C 1.536873 2.982698 -1.604527
C 2.295368 2.391198 1.356022
C -1.340026 -3.111030 -0.624256
C -3.761585 -1.824043 0.724604
H 0.547801 -1.299762 -2.045029
H 1.234907 0.188834 -2.706006
H -1.300745 0.167242 -2.668848
H -0.577751 1.536563 -1.824922
H 4.528359 -1.741438 1.632008
H 4.359696 0.005686 1.330912
H 3.113193 -0.855256 2.268401
H 4.509884 -2.558872 -1.529868
H 3.193342 -1.939214 -2.551686
H 4.463594 -0.833452 -1.972944
H 2.785130 -3.794511 0.525300
H 1.309620 -3.026087 1.144451
H 1.416713 -3.509114 -0.571385
H 4.585843 2.677553 -0.930031
H 4.814758 0.961905 -0.512789
H 4.193623 1.413921 -2.117438
H 2.900768 3.309836 1.449446
H 1.264447 2.648914 1.658827
H 2.665758 1.655286 2.086318
H 2.218469 3.845458 -1.708528
H 1.383655 2.563326 -2.613046
H 0.572740 3.364197 -1.242771
H -4.724443 2.560299 -0.890159
H -3.777667 1.731975 -2.152543
H -4.814970 0.790191 -1.051793
H -3.671061 2.250450 2.278953
H -4.226910 0.598366 1.920590
H -2.588018 0.856637 2.562880
H -2.355545 3.941804 0.561821
H -0.782875 3.118587 0.639277
H -1.519815 3.494016 -0.939636
H -4.146785 -2.858036 0.680461
H -3.314296 -1.670215 1.719894
H -4.622696 -1.143650 0.631650
H -3.964993 -2.484104 -2.452091
H -3.968321 -0.702861 -2.524159
H -2.592900 -1.622448 -3.182263
H -1.947457 -4.021195 -0.775728
H -0.581344 -3.084037 -1.422835
H -0.811708 -3.227223 0.335212
H 0.013641 -1.854436 2.792719
97
75-PH(TS)
C 0.691864 -3.095128 2.480701
Si 0.883641 -2.852460 0.581343
Si -1.257325 -2.780754 -0.398375
C -2.396171 -4.154501 0.320112
C 1.919117 -4.341335 -0.065126
Si 1.892153 -0.778390 0.057859
Si 3.453786 -1.032015 -1.699233
C 4.051439 0.670844 -2.331729
Si 3.067075 -0.063903 1.974620
C 4.320943 -1.418619 2.495111
Ge 0.002174 0.556829 -0.789389
P -0.039193 1.255366 -2.975814
C 4.085942 1.529543 1.642639
C 1.949283 0.226449 3.506904
Si -2.051849 -0.582161 -0.013742
Si -3.033237 -0.354831 2.126320
C -3.963673 1.324810 2.177961
Si -3.773141 0.022475 -1.524669
C -5.459616 -0.644482 -0.886180
C -3.900609 1.928660 -1.631335
C -3.529697 -0.663714 -3.286772
C -1.039734 -3.076700 -2.283580
C -4.345736 -1.720593 2.426182
C -1.842882 -0.452606 3.630397
C 4.976951 -2.028295 -1.090148
C 2.696737 -1.984847 -3.172322
P 0.385154 2.805347 0.015955
C -1.000824 3.872948 -0.608462
C -0.854584 5.388583 -0.372175
C 0.566243 3.252472 1.811810
C -0.710381 2.988184 2.625961
C 1.966241 3.361161 -0.793428
C 2.641067 4.621660 -0.217556
H 1.668976 -3.125072 2.992192
H 0.100117 -2.284838 2.931308
H 0.173589 -4.047715 2.689915
H 2.924136 -4.350123 0.390771
H 1.427135 -5.295979 0.192377
H 2.047671 -4.311766 -1.158392
H -0.448145 -3.989954 -2.471478
H -2.013870 -3.195413 -2.784378
H -0.523820 -2.228742 -2.762569
H -2.006029 -5.152647 0.052574
H -2.455666 -4.099060 1.419251
H -3.422521 -4.075470 -0.077169
H -4.877335 -1.521363 3.374815
H -5.094668 -1.764152 1.620971
H -3.879325 -2.716006 2.506185
H -4.425118 1.482159 3.169554
H -3.303822 2.182693 1.974045
H -4.768251 1.342579 1.425014
H -2.296510 0.050514 4.503442
H -1.679110 -1.507153 3.908217
H -0.854867 -0.001419 3.460227
H -6.251458 -0.404111 -1.619007
H -5.445164 -1.740939 -0.761761
H -5.754506 -0.202889 0.079901
H -4.777365 2.223512 -2.235729
H -4.004186 2.395447 -0.637300
H -2.997552 2.324928 -2.122131
H -4.309833 -0.252118 -3.953175
H -2.544925 -0.366957 -3.681040
H -3.608603 -1.762913 -3.314852
H 4.850404 -1.104994 3.413282
H 3.818596 -2.376072 2.710532
H 5.075501 -1.607334 1.716118
H 4.694924 1.787503 2.527754
H 4.774581 1.383725 0.793265
H 3.457489 2.401721 1.405096
H 2.548655 0.633539 4.341414
H 1.116739 0.921876 3.323655
H 1.509428 -0.724941 3.844880
H 4.818670 0.542345 -3.116555
H 3.201923 1.226202 -2.764336
H 4.496990 1.280048 -1.526081
H 5.608717 -2.310259 -1.951859
H 5.603577 -1.441353 -0.398477
H 4.678744 -2.955435 -0.573710
H 3.466707 -2.144777 -3.948658
H 2.306164 -2.971865 -2.877132
H 1.872384 -1.412534 -3.624704
H 0.844928 4.317703 1.858130
H 1.415270 2.677275 2.206290
H -0.531635 3.187409 3.694321
H -1.533929 3.637083 2.291172
H -1.038682 1.945585 2.524686
H -1.092128 3.642351 -1.681139
H -1.916682 3.488347 -0.133259
H -1.781222 5.899662 -0.678734
H -0.673041 5.624051 0.688854
H -0.027998 5.804987 -0.965847
H 2.646537 2.500130 -0.726483
H 1.723989 3.461342 -1.861651
H 3.552263 4.837256 -0.798353
H 1.989139 5.505517 -0.267706
H 2.942240 4.477585 0.831337
H 0.255837 -0.066359 -3.461062
78
76-PH(TS)
C 3.541273 0.506762 -0.582984
C 2.156832 0.765041 -0.302503
C 1.580066 1.970481 -0.812820
C 2.336759 2.803170 -1.666201
C 3.660420 2.508015 -1.988324
C 4.261105 1.379300 -1.421949
Ge 1.061214 -0.677399 0.675771
P 1.770310 -2.226412 2.154881
C 0.191412 2.504903 -0.446463
C -0.745947 2.613968 -1.668283
C 4.318689 -0.646206 0.061988
C 4.926110 -0.160720 1.397725
C -0.898745 -0.335422 0.319777
C -1.230322 -0.776784 -0.989983
C -2.544276 -0.814370 -1.458196
C -3.606872 -0.401978 -0.632589
C -3.274582 0.060254 0.647879
C -1.950006 0.137779 1.144088
C -0.094578 -1.190028 -1.901285
N 0.911600 -1.964782 -1.109192
C 0.348349 -3.299936 -0.741562
C -1.792160 0.796758 2.539644
C -2.455961 -0.120398 3.600878
C -5.050973 -0.451636 -1.161950
C -5.400268 -1.906143 -1.572354
C 2.148505 -2.164513 -1.908673
C -0.335909 1.044121 2.982224
C -2.496866 2.184865 2.537072
C -6.088050 0.018754 -0.118499
C -5.161453 0.469225 -2.406225
C 0.305258 3.865796 0.281306
C 5.410953 -1.271495 -0.833461
H -2.741230 -1.165638 -2.474151
H -4.079565 0.386244 1.303122
H -0.442539 -1.799176 -2.754248
H 0.434038 -0.304614 -2.292099
H -2.370439 2.659007 3.524474
H -2.048877 2.844019 1.777019
H -3.575879 2.112315 2.336779
H -0.340936 1.609620 3.928108
H 0.189197 0.101791 3.176980
H 0.233537 1.639885 2.251834
H -2.380794 0.343948 4.598706
H -3.521184 -0.286500 3.376343
H -1.947523 -1.097232 3.628535
H -7.098212 -0.047042 -0.552306
H -6.059394 -0.610231 0.785792
H -5.910225 1.064741 0.179203
H -6.185223 0.429803 -2.814931
H -4.930849 1.512739 -2.137249
H -4.462369 0.156622 -3.197664
H -6.424822 -1.945845 -1.978820
H -4.710308 -2.280636 -2.344506
H -5.341847 -2.579688 -0.702290
H 1.903082 -2.724789 -2.828147
H 2.572845 -1.187013 -2.163572
H 2.869882 -2.733339 -1.310474
H 1.083031 -3.837717 -0.131903
H -0.560395 -3.153175 -0.147424
H 0.120652 -3.855089 -1.669367
H 5.310426 1.172349 -1.634876
H 4.229741 3.162859 -2.652678
H 1.873602 3.708808 -2.063632
H 3.623634 -1.450639 0.329831
H 5.782178 -2.193679 -0.358057
H 5.026586 -1.523714 -1.835472
H 6.275162 -0.599228 -0.961419
H 5.493978 -0.977180 1.873064
H 5.602147 0.694280 1.225879
H 4.125094 0.141680 2.088419
H -0.282268 1.816765 0.251224
H -1.740229 2.967825 -1.349386
H -0.349301 3.323059 -2.413429
H -0.877351 1.635094 -2.152022
H -0.696390 4.214531 0.583142
H 0.930297 3.775956 1.183991
H 0.752570 4.635295 -0.368008
H 1.399207 -1.468039 3.312515
77
77-PH(TS)
C -2.056983 -1.129335 -0.116765
C -0.688167 -1.466878 -0.120410
C -0.255605 -2.710960 0.377353
C -1.169463 -3.589043 0.980717
C -2.522007 -3.216222 1.061545
C -2.966105 -2.004166 0.501254
Ge 0.793865 -0.343183 -0.765501
P 1.223765 -0.432084 -2.970635
C 1.195089 -3.075679 0.107464
N 2.060810 -1.843773 0.195761
C 3.429758 -1.967927 -0.451503
C 3.520291 -2.868254 -1.687184
C -2.447662 0.185319 -0.781090
N -3.882966 0.487007 -0.784593
C -4.110174 1.919167 -1.074355
C -3.771135 2.850569 0.100150
C 0.972596 1.318567 0.404078
C 1.843221 2.345056 -0.081281
C 1.685025 3.671511 0.366137
C 0.699663 4.006742 1.297510
C -0.080697 2.992160 1.860766
C 0.056849 1.646651 1.462078
C 3.047656 2.061442 -0.983954
C 3.070254 2.928854 -2.257919
C -0.645962 0.608282 2.351493
C 0.111978 0.545471 3.705730
C 2.229409 -1.407888 1.632258
C 2.827307 -2.441525 2.599585
C -4.580386 -0.353547 -1.785737
C -6.078104 -0.501590 -1.480557
C -2.145155 0.856956 2.632582
C 4.352868 2.221259 -0.166881
H -0.834557 -4.551175 1.378743
H -3.238559 -3.879647 1.550864
H -4.018055 -1.720774 0.556020
H -2.030289 0.179021 -1.816145
H -1.917928 0.994754 -0.256684
H -5.177107 2.042099 -1.313403
H -3.543105 2.228547 -1.982180
H -4.044895 3.885450 -0.163249
H -4.336392 2.551340 0.996060
H -2.699307 2.843952 0.350281
H -4.430284 0.051905 -2.811210
H -4.117988 -1.351337 -1.773191
H -6.553852 -1.155146 -2.230019
H -6.218970 -0.945446 -0.482179
H -6.601375 0.467537 -1.498857
H -0.785688 3.240987 2.656209
H 0.570848 5.043283 1.618803
H 2.355404 4.444629 -0.014700
H -0.579859 -0.375244 1.880011
H -0.286481 -0.273826 4.328058
H 1.192703 0.389292 3.561430
H -0.015756 1.492025 4.255538
H -2.514010 0.070995 3.311373
H -2.309145 1.827526 3.127792
H -2.755856 0.824736 1.723033
H 2.997304 1.021455 -1.334659
H 5.224472 1.962396 -0.791760
H 4.477577 3.258812 0.184346
H 4.349024 1.565632 0.720849
H 3.968255 2.694125 -2.852567
H 2.185150 2.708504 -2.873027
H 3.090092 4.004727 -2.017997
H 1.575106 -3.867255 0.771117
H 1.267121 -3.427543 -0.930557
H 1.235853 -1.133429 1.988867
H 2.834007 -0.491075 1.603696
H 2.965157 -1.945999 3.573201
H 2.146010 -3.290997 2.754891
H 3.806358 -2.828711 2.279860
H 3.723193 -0.940647 -0.710814
H 4.136445 -2.335323 0.307157
H 4.524591 -2.740883 -2.120015
H 3.397166 -3.929887 -1.421875
H 2.778408 -2.596210 -2.450457
H 0.058000 0.397355 -3.173669
99
79-PH(TS)
C -1.358760 1.076659 -0.236436
C -1.637954 -0.317001 -0.407562
C -2.998119 -0.698891 -0.671119
C -3.996526 0.284782 -0.538137
C -3.738617 1.630298 -0.234815
C -2.398210 2.018528 -0.147890
Ge -0.192557 -1.623317 0.203713
P -0.148537 -3.754846 0.935057
C -3.477653 -2.112382 -1.116741
C -2.446544 -2.799025 -2.043522
C -4.911633 2.607474 -0.045231
C -5.763727 2.657964 -1.340489
C 0.064957 1.619991 -0.142766
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50
86-PH(TS)
C -4.412107 0.531593 0.373644
C -4.214867 1.743489 -0.308462
C -2.946227 2.044809 -0.826500
C -1.882610 1.142029 -0.651005
N -2.117333 -0.024576 0.011923
C -3.332090 -0.344475 0.508928
Si -0.055851 1.321326 -1.243597
C 0.354096 3.176234 -1.182969
Ge -0.528923 -1.355978 0.043726
P -1.067250 -2.921282 -1.452950
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C 2.417669 -1.751671 -2.089105
C -0.032655 0.721291 -3.047513
Si 1.115419 1.057028 1.676963
C -0.528081 1.821027 2.279928
C 1.800628 -0.057993 3.071335
C 2.404983 2.463072 1.507233
Cl -0.719054 -1.996756 2.202493
C 3.387951 1.127809 -1.608891
C 3.737561 -1.020856 0.574749
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54
87-PH(TS)
C -3.498767 -1.347778 0.709861
C -2.624501 -0.610896 1.529753
C -3.077887 0.575792 2.135705
C -4.383509 1.032743 1.907406
C -5.248581 0.295477 1.081317
C -4.806665 -0.896622 0.486289
C -1.218528 -1.101840 1.753141
N -0.190225 -0.534548 0.792569
C 1.086039 -1.226250 0.992678
C 2.271837 -0.613893 0.777310
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C 1.111747 1.271319 -0.130558
C 0.026881 0.933535 0.930699
Ge -0.497071 -0.648563 -1.326561
P -0.422663 -2.760140 -1.976802
O 0.798778 0.666012 -1.353491
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C 3.632235 -1.285219 0.907805
C 3.509294 -2.731741 1.431924
Cl -2.258549 0.699168 -1.663014
C 1.766045 3.440002 1.037821
C 2.543470 2.986073 -1.322752
C 4.291793 -1.310296 -0.497461
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55
88-PH(TS)
C 2.938289 -0.859459 -0.024180
C 2.752108 0.534349 -0.066064
C 1.485954 1.160309 -0.042595
C 0.343469 0.319461 0.044808
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C -0.684290 -1.963258 0.289114
O -1.840508 -1.304392 -0.324344
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C 4.328563 -1.520416 -0.068902
C 5.480451 -0.493955 -0.148771
C 2.760119 3.398832 0.057500
C 0.867693 3.082913 -1.548906
Cl -2.022310 0.653287 2.281417
C -2.868395 -3.326257 -1.277135
C -3.486882 -2.566201 1.077340
C 4.528613 -2.373703 1.211624
C 4.413107 -2.443108 -1.313564
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H -2.504353 3.109315 -0.590723
35
89-PH(TS)
C -2.153136 3.514670 -0.058733
C -0.952341 2.730266 -0.080746
C -1.077710 1.288311 -0.073706
C -2.385843 0.703016 -0.025170
C -3.528902 1.476062 -0.003269
C -3.390643 2.901561 -0.023367
C 0.343881 3.287644 -0.097764
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C 2.834476 3.016805 -0.094376
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C 2.511496 0.211980 -0.129916
Ge -0.159972 -1.476867 -0.079608
P -0.536710 -3.048030 -1.589754
O 2.209921 -1.137749 -0.182336
C 3.236595 -2.108107 0.091231
O -2.348595 -0.680780 -0.007546
C -3.573749 -1.436301 -0.054855
Cl -0.145966 -1.923838 2.131754
H 2.968283 4.100503 -0.085449
H 4.936702 2.590215 -0.060837
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H 0.882359 -3.143766 -1.821968
95
90-PH(TS)
C 3.931029 -0.327756 -0.884771
C 3.161852 -0.613040 0.280820
C 3.783670 -1.106750 1.459618
C 5.171652 -1.339063 1.439831
C 5.934771 -1.081959 0.296190
C 5.313942 -0.575657 -0.854047
N 1.736422 -0.387740 0.234101
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N -0.437580 1.549082 0.115219
Ge -1.613227 0.401564 -0.736661
P -3.569376 0.915368 -1.621193
C 2.996636 -1.398362 2.736049
C 2.981857 -2.913271 3.044888
C 3.257854 0.179386 -2.161537
C 4.109774 1.198201 -2.947774
C -0.880559 2.919605 0.207495
C -0.410130 3.872816 -0.733117
C -0.778399 5.220046 -0.563716
C -1.602073 5.615755 0.494304
C -2.090899 4.657200 1.392887
C -1.753358 3.299702 1.265259
C 0.451343 3.479380 -1.931802
C -0.253111 3.840009 -3.260121
C -2.292881 2.267540 2.255359
C -1.332645 2.101302 3.454459
N -0.947948 -1.280783 -0.341559
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C -1.953672 -2.316881 -0.311228
C -2.599885 -2.579480 0.927982
C -3.522449 -3.638108 0.989444
C -3.811338 -4.410490 -0.142744
C -3.184029 -4.122172 -1.360706
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C -2.277124 -1.768712 2.183958
C -3.542409 -1.328535 2.951035
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C -0.580454 -3.885156 -3.181737
C -1.314292 -2.555166 3.102890
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C -3.726470 2.569061 2.738812
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C 2.867459 -1.011278 -3.068184
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H -2.908384 0.991355 -2.903959
29
91-PH(TS)
C -3.638205 1.225208 -0.011089
C -2.909999 0.000053 -0.009999
C -1.457154 0.000024 -0.008020
C -0.793689 1.294249 -0.005924
C -1.562963 2.468132 -0.001791
C -2.973900 2.433579 -0.006497
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C -2.974008 -2.433476 -0.006253
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C -0.793759 -1.294233 -0.005887
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H -4.729076 1.179525 -0.014040
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H 2.312699 -2.655968 -0.058228
H 4.128702 -0.000388 1.265732
41
92-PH(TS)
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C -1.810831 0.008754 -0.004482
C -3.259268 0.016097 -0.010746
C -3.974051 -1.153331 -0.402478
C -3.291805 -2.296659 -0.774696
C -1.882791 -2.352343 -0.675651
C -1.125309 1.262339 0.216209
C -1.861683 2.367113 0.670368
C -3.272154 2.325274 0.758270
C -3.965201 1.191925 0.376749
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C 0.764607 2.773795 -0.438075
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N 0.230085 -1.403169 0.124320
C 0.723127 -2.770515 0.504385
C 1.575098 -2.726257 1.787382
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P 3.637012 -0.014263 0.085455
C 1.453864 3.407576 0.783647
C 1.467597 -3.445601 -0.661312
H -5.056933 1.170027 0.375088
H -3.806762 3.214371 1.099327
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H 1.188762 2.270525 -2.522282
H 3.706794 -0.090198 -1.353946
74
93-PH(TS)
C 3.122915 1.368023 -0.362245
C 2.723638 0.073853 0.061553
C 3.561304 -1.057541 -0.087864
C 4.842715 -0.866172 -0.633565
C 5.271977 0.407205 -1.025246
C 4.416072 1.508883 -0.897945
N 1.413272 -0.095808 0.638996
Ge -0.016236 -0.212222 -0.538348
P -0.012111 0.129355 -2.704332
C 3.057599 -2.459182 0.254428
C 2.488823 -3.123471 -1.022522
C 2.184052 2.571465 -0.237729
C 2.180379 3.139876 1.200831
C 1.267102 -0.185065 2.041760
C 2.543171 -0.175175 2.859035
C 0.054918 -0.286073 2.662432
C -1.287177 -0.300368 2.086683
C -2.390219 -0.392790 2.883846
N -1.397261 -0.187402 0.668033
C -2.717379 -0.041807 0.100514
C -3.431872 -1.186553 -0.317626
C -4.696451 -0.995815 -0.904692
C -5.234090 0.287247 -1.059321
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90
117-PH(TS)
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102
118-PH(TS)
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89
119-PH(TS)
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102
120-PH(TS)
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95
121-PH(TS)
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C 2.545824 1.352913 2.728318
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H -0.208633 -0.241014 -3.245412
93
137-PH(TS)
C -0.011710 3.666166 -0.041746
C 1.029814 2.706117 0.006549
C 2.316187 2.996694 -0.522679
C 2.531030 4.266470 -1.088115
C 1.511930 5.226542 -1.135622
C 0.249631 4.922926 -0.617632
N 0.790356 1.419324 0.610881
C 0.820530 1.334113 2.024022
C 0.672373 0.016508 2.642933
C 0.633862 -1.216938 2.049827
C 0.568292 -2.467071 2.908332
C 3.450679 1.975979 -0.451786
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C -1.408489 3.378077 0.499384
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C 2.499206 -2.879823 0.100739
C 2.972720 -4.121942 -0.357719
C 2.089146 -5.120833 -0.784917
C 0.709833 -4.883144 -0.761353
C 0.192990 -3.662264 -0.292253
C 3.496881 -1.797023 0.509459
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C -1.312551 -3.422327 -0.304093
C -2.095225 -4.528043 0.437273
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C -4.571444 -0.082210 -0.090260
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C -6.791834 -0.164799 -1.126631
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C -1.810696 4.365862 1.616494
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H -0.228497 -0.002153 -3.198406
66
138-PH(TS)
C -4.592179 0.966193 -0.326786
C -3.865900 -0.377528 -0.541447
C -4.477462 -1.179188 -1.708619
N -2.402271 -0.181983 -0.707127
C -2.010141 0.742609 -1.787939
C -0.584249 0.541166 -2.336363
N 0.479788 1.017702 -1.439504
C 1.461417 1.991610 -1.976668
C 0.790713 3.275922 -2.509008
Ge -1.208005 -1.038748 0.430700
P -1.970873 -2.294001 2.091580
Si 0.835961 0.139310 0.016968
N 1.273290 1.166186 1.371362
C 0.403684 2.125011 2.101922
C -0.672715 2.692237 1.153504
N 2.273602 -0.835107 0.112428
C 2.605264 -2.102651 -0.570303
C 1.670280 -2.299564 -1.783764
C 3.162481 -0.350941 1.181930
C 2.293287 0.452614 2.169360
C -0.300481 1.445438 3.302292
C 1.262515 3.311934 2.605765
C 2.373481 1.359083 -3.048390
C 4.065855 -2.060492 -1.081370
C 2.420792 -3.298720 0.397320
H -0.522451 1.099158 -3.281942
H -0.460417 -0.527579 -2.598943
H -2.108986 1.789459 -1.445214
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H -0.206485 3.150401 0.271302
H -1.367865 1.909242 0.812348
H -1.844929 -3.475112 1.269196
80
139-PH(TS)
C 4.335882 -0.193064 -1.378672
C 3.449172 -0.793589 -0.456504
C 3.907763 -1.705008 0.521597
C 5.276999 -2.025745 0.547177
C 6.168314 -1.450986 -0.369221
C 5.697755 -0.536197 -1.321700
N 2.044352 -0.485050 -0.540232
Ge 1.297218 0.755498 0.610758
P 2.605710 2.083111 1.799845
C 2.956672 -2.291203 1.545410
C 3.828934 0.833824 -2.369490
C 1.335921 -1.402940 -1.456679
C -0.069171 -0.983561 -1.933163
N -1.154211 -0.779593 -0.932624
Si -1.039329 0.625815 0.137296
N -2.008780 0.519383 1.587147
C -1.871417 -0.434100 2.724826
C -0.985644 0.152938 3.852826
C -2.318505 -1.617566 -1.088698
C -2.206196 -3.026723 -0.891176
C -3.351381 -3.834902 -1.004216
C -4.601481 -3.289624 -1.317755
C -4.700269 -1.914939 -1.549415
C -3.577569 -1.069447 -1.456776
C -0.891570 -3.701374 -0.558152
C -3.764660 0.394727 -1.786459
N -1.592978 2.229730 -0.294545
C -1.086221 3.212504 -1.279734
C -2.272512 3.924551 -1.978113
C -2.592552 2.706852 0.673375
C -2.417803 1.890743 1.963800
C -3.279596 -0.767871 3.275372
C -1.234266 -1.747164 2.242590
C -0.185242 4.258913 -0.578200
C -0.260425 2.501861 -2.368013
H -0.403218 -1.776883 -2.618281
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H -2.855949 0.834081 -2.216480
H -4.598610 0.519812 -2.495527
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H 2.984710 0.450226 -2.966665
H 3.465063 1.730700 -1.839202
H 2.500418 1.174771 2.918483
18
140-PH(TS)
C -2.522687 -1.046469 2.515438
C -1.932395 -0.444384 1.265188
C -2.478460 -0.733669 -0.000760
C -2.046637 -0.170071 -1.212445
C -2.756495 -0.474971 -2.507118
O -0.915767 0.338269 1.475403
Ge 0.232367 1.005303 0.056535
P 0.924585 3.076900 0.279593
O -1.036364 0.646535 -1.343064
I 1.589903 -1.238584 -0.118701
H -3.333094 -1.405946 -0.036997
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H -2.058329 -0.998573 -3.181535
H -3.648823 -1.095751 -2.349071
H -3.441162 -1.611310 2.305389
H -1.775401 -1.717495 2.971707
H -2.731344 -0.248864 3.245944
H 0.495907 3.270917 -1.085801
78
144-PH(TS)
C 3.526740 1.573563 -0.430757
C 3.360199 0.203909 -0.114913
C 3.790086 -0.841647 -0.957222
C 4.445829 -0.479430 -2.148954
C 4.643221 0.863354 -2.484076
C 4.181793 1.879800 -1.635405
N 2.712370 -0.127691 1.132278
C 3.338228 -0.018162 2.376890
C 2.397406 -0.279290 3.329098
N 1.211042 -0.541274 2.645440
C 1.390063 -0.472742 1.274617
C -0.009871 -1.093691 3.201669
N -1.172998 -0.424530 2.645648
C -2.341438 -0.052535 3.309897
C -3.241075 0.277650 2.337580
N -2.609412 0.094539 1.105608
C -1.324177 -0.349826 1.276200
C -3.277016 0.274022 -0.163813
C -3.833767 -0.860962 -0.793182
C -4.556377 -0.650179 -1.981295
C -4.715689 0.634666 -2.512534
C -4.130889 1.735473 -1.874346
C -3.386651 1.576664 -0.693067
C -3.667607 -2.277896 -0.250016
C -2.990762 -3.193723 -1.296841
C -2.687186 2.777308 -0.064123
C -3.711650 3.789868 0.496409
Ge 0.004071 -1.219082 -0.023473
P -0.068637 -0.255091 -2.107787
C 3.581794 -2.314219 -0.615271
C 4.920525 -2.955505 -0.179026
C 2.913070 2.669923 0.439258
C 1.462262 2.936956 -0.030355
C 2.944102 -3.089912 -1.790434
C 3.730413 3.978770 0.452350
C -1.741353 3.441578 -1.090756
C -5.028569 -2.858448 0.199718
H -4.262251 0.636070 2.395631
H -2.419356 -0.048938 4.391912
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H -2.315169 3.886606 -1.920288
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H -4.352546 3.328589 1.266743
H -0.002814 -0.986691 4.292857
H -0.062994 -2.163387 2.894220
H 2.457610 -0.302017 4.411743
H 4.384168 0.254541 2.454933
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H 5.145873 1.123133 -3.418342
H 4.788300 -1.264971 -2.823805
H 2.885196 -2.385118 0.232400
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H 5.346338 -2.436454 0.696082
H 2.718916 -4.120553 -1.470245
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H 3.633732 -3.146420 -2.649201
H 2.864075 2.309288 1.477933
H 3.289037 4.680480 1.178302
H 4.781747 3.798870 0.730689
H 3.713412 4.471253 -0.533171
H 0.969119 3.652578 0.649575
H 1.469466 3.370098 -1.043255
H 0.869798 2.010460 -0.077275
H 1.296164 0.190738 -1.993384
67
145-PH(TS)
C 3.030531 -1.261803 0.060422
C 2.464722 0.020920 0.221000
C 3.197498 1.213873 0.062770
C 4.560918 1.095329 -0.260985
C 5.157855 -0.161112 -0.420313
C 4.396317 -1.326517 -0.264978
N 1.081479 0.103066 0.624811
C -0.000002 0.130161 -0.231678
N -1.081481 0.103096 0.624813
C -0.683236 0.068432 1.953152
C 0.683236 0.068412 1.953150
C -2.464727 0.020969 0.221008
C -3.197458 1.213936 0.062672
C -4.560887 1.095415 -0.261058
C -5.157873 -0.161018 -0.420263
C -4.396379 -1.326439 -0.264824
C -3.030589 -1.261748 0.060563
C -2.551575 2.590871 0.179463
C -3.246727 3.457975 1.252490
C -2.207884 -2.542502 0.175981
C -2.790613 -3.502007 1.237169
P -0.000009 0.025066 -2.056541
C 2.551671 2.590821 0.179708
C 2.550960 3.292752 -1.197888
C 2.207788 -2.542541 0.175731
C 2.097631 -3.230594 -1.204786
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C 2.790418 -3.502086 1.236937
C -2.097620 -3.230596 -1.204507
C -2.550824 3.292644 -1.198215
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H -5.153146 2.001991 -0.398048
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H -2.748660 4.438471 1.327105
H -4.303550 3.632851 0.993673
H -3.214092 2.971558 2.241130
H -2.029400 4.262023 -1.130003
H -2.041932 2.661209 -1.942074
H -3.582395 3.478602 -1.539937
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H -2.159996 -4.402614 1.316786
H -2.840817 -3.020407 2.227425
H -3.808044 -3.823853 0.961976
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H -3.092171 -3.550059 -1.557647
H -1.666910 -2.535744 -1.941258
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H 2.159789 -4.402692 1.316471
H 3.807870 -3.823927 0.961816
H 2.840543 -3.020522 2.227214
H 1.454599 -4.123432 -1.130325
H 1.667036 -2.535696 -1.941561
H 3.092201 -3.550107 -1.557830
H 1.501712 2.462754 0.481672
H 2.748830 4.438287 1.327554
H 3.214160 2.971251 2.241432
H 4.303684 3.632617 0.994071
H 2.029585 4.262149 -1.129568
H 3.582540 3.478698 -1.539589
H 2.042040 2.661426 -1.941820
H 0.000009 1.458194 -2.195226
36
146-PH(TS)
C -1.378419 2.056796 -0.517286
C -0.183103 1.660302 0.111752
C 0.886477 2.573127 0.228760
C 0.756991 3.870972 -0.283077
C -0.437762 4.266679 -0.908882
C -1.502723 3.360246 -1.023757
P 0.004301 -0.011413 0.846215
P 0.023158 -0.021652 2.971366
C 1.544841 -0.690556 0.081672
C 2.297725 -1.643589 0.794327
C 3.451567 -2.198024 0.222949
C 3.872730 -1.791793 -1.054511
C 3.134360 -0.830548 -1.761896
C 1.970357 -0.283363 -1.199557
C -1.339852 -1.028880 0.060599
C -1.253574 -1.480867 -1.272667
C -2.317455 -2.193972 -1.842679
C -3.471750 -2.462126 -1.087190
C -3.557505 -2.019240 0.241684
C -2.493633 -1.306076 0.816672
H 1.811253 2.264052 0.719268
H 1.587823 4.573820 -0.192798
H -0.537053 5.279561 -1.305003
H -2.432941 3.664853 -1.507925
H -2.205358 1.351396 -0.608847
H -0.355086 -1.287355 -1.860031
H -2.243472 -2.544896 -2.874431
H -4.297786 -3.020986 -1.532739
H -4.449119 -2.233868 0.834914
H -2.535911 -0.969193 1.856041
H 1.402938 0.470557 -1.747944
H 3.464743 -0.501537 -2.749660
H 4.778952 -2.215848 -1.492288
H 4.029504 -2.937884 0.780797
H 1.993881 -1.927171 1.804481
H -0.299861 1.375946 2.970972
54
147-PH(TS)
C -1.675962 -2.273421 -0.081586
C -1.477862 -0.744867 -0.221017
C -2.777697 0.017055 0.133530
C -3.953114 -0.467730 -0.741344
C -4.159296 -1.988721 -0.595539
C -2.865269 -2.751880 -0.943661
P -0.024950 -0.131408 0.785565
P -0.293021 -0.260063 2.894051
C 1.437003 -1.161138 0.192368
C 1.704456 -1.139913 -1.329332
C 2.836770 -2.128432 -1.689383
C 4.125768 -1.801080 -0.907345
C 3.862959 -1.780523 0.613028
C 2.722265 -0.804562 0.974890
C 0.389390 1.597767 0.113969
C -0.131294 2.730866 1.026421
C 0.377899 4.100538 0.528988
C -0.021580 4.356786 -0.939193
C 0.457786 3.208160 -1.849254
C -0.066766 1.844468 -1.347335
H -1.223029 -0.526753 -1.272067
H -3.009821 -0.156457 1.196494
H -2.632837 1.101929 0.014039
H -4.871455 0.074658 -0.462185
H -3.742224 -0.229021 -1.800130
H -4.442964 -2.214777 0.448020
H -4.987171 -2.327987 -1.239980
H -3.007758 -3.836622 -0.807018
H -2.625243 -2.586987 -2.010186
H -1.861283 -2.513856 0.978350
H -0.760431 -2.806826 -0.382361
H 1.494324 1.635984 0.127763
H -1.235144 2.718881 1.019203
H 0.171538 2.549372 2.067639
H -0.012568 4.902028 1.177703
H 1.480069 4.124162 0.612468
H -1.122482 4.429753 -1.006029
H 0.389542 5.318386 -1.288962
H 0.127470 3.374475 -2.888460
H 1.562911 3.185011 -1.857987
H -1.168618 1.852071 -1.385524
H 0.273446 1.042107 -2.017405
H 1.152980 -2.186964 0.485662
H 3.037242 0.223174 0.718584
H 2.516719 -0.834907 2.056784
H 4.780530 -1.501434 1.157005
H 3.581939 -2.795175 0.947685
H 4.493013 -0.807353 -1.223453
H 4.915329 -2.531215 -1.150855
H 3.027361 -2.101943 -2.775377
H 2.509634 -3.153975 -1.439928
H 2.013255 -0.123863 -1.627831
H 0.790397 -1.387350 -1.893893
H -1.557832 -0.916699 2.698757
42
1-Pd
C 2.452700 -0.103329 -1.126480
C 1.639891 0.053408 0.018143
C 2.207047 -0.316419 1.255516
C 3.498397 -0.852785 1.352501
C 4.267301 -1.021430 0.194972
C 3.744937 -0.638376 -1.048041
Ge -0.081622 1.094084 -0.073572
C -1.774249 -0.118566 -0.081380
C -1.821890 -1.529231 -0.277320
C -3.034814 -2.238713 -0.301848
C -4.246782 -1.570325 -0.132310
C -4.245942 -0.190674 0.078160
C -3.037682 0.522905 0.104631
C -0.565406 -2.377655 -0.444711
F 0.200088 -2.350426 0.681778
C -3.169468 2.030932 0.342533
F -4.451999 2.409591 0.592787
C -5.556556 -2.332991 -0.094331
F -5.477113 -3.516756 -0.756767
C 1.467600 -0.089268 2.556557
F 0.122813 0.175436 2.353821
C 5.628690 -1.679888 0.267965
F 6.205930 -1.518334 1.488931
C 1.996423 0.381224 -2.489220
F 2.351637 -0.466101 -3.484998
F 1.531687 -1.157650 3.385254
F 1.968661 0.979801 3.224888
F 0.624250 0.529411 -2.567465
F 2.530256 1.596017 -2.775742
F 5.532097 -3.019535 0.039647
F 6.481851 -1.174962 -0.664317
F -2.437673 2.431877 1.419099
F -2.764798 2.741437 -0.744878
F -5.913636 -2.606713 1.190444
F -6.567875 -1.612376 -0.649264
F -0.841466 -3.687409 -0.686260
F 0.196741 -1.952362 -1.487888
H -5.192620 0.326456 0.214923
H -3.037117 -3.314331 -0.458381
H 4.344478 -0.758232 -1.950075
H 3.901706 -1.140174 2.323086
Pd 0.266766 3.306395 -0.083889
96
2-Pd
C 0.246114 -2.672497 -0.038824
C 0.437312 -1.404585 -0.679217
C -0.603807 -0.952788 -1.561959
C -1.872395 -1.543512 -1.488883
C -2.149286 -2.643184 -0.662130
C -1.051410 -3.240663 -0.039453
Ge 1.791867 -0.001322 -0.000002
Pd 4.046012 -0.002834 -0.000036
C -0.384091 0.000608 -2.768720
C 1.026488 0.608601 -2.842239
C -3.589944 -3.159121 -0.523585
C -4.474008 -2.001346 0.013133
C 1.350147 -3.626106 0.519302
C 1.039217 -4.149566 1.948763
C 0.439399 1.403836 0.679253
C -0.602441 0.953555 1.561952
C -1.870143 1.546177 1.488786
C -2.145342 2.646279 0.662032
C -1.046561 3.242155 0.039441
C 0.250114 2.672069 0.038904
C -0.384274 -0.000151 2.768772
C -1.422455 -1.148718 2.823059
C 1.355534 3.624077 -0.519200
C 1.381191 4.846747 0.451374
C -3.585208 3.164387 0.523442
C -4.471094 2.007873 -0.012971
C -0.547099 -0.872478 -4.048715
C -1.420512 1.150750 -2.823004
C 1.374168 -4.848795 -0.451295
C 2.788440 -3.071708 0.530071
C -4.124553 -3.610691 -1.907341
C -3.702485 -4.348348 0.455150
C 2.793061 3.067691 -0.529857
C 1.045448 4.147959 -1.948684
C -4.118996 3.617123 1.907131
C -3.695933 4.353560 -0.455561
C 1.025340 -0.610357 2.842493
C -0.546034 0.873245 4.048731
H -2.668568 1.161489 2.123793
H -1.192062 4.186820 -0.479247
H -2.670181 -1.157639 -2.123971
H -1.198323 -4.185105 0.479224
H 3.488686 3.892481 -0.759372
H 3.071985 2.639737 0.444957
H 2.949396 2.290620 -1.291625
H 1.827556 4.867675 -2.242488
H 1.038553 3.332516 -2.684910
H 0.077619 4.667663 -2.006228
H 2.152903 5.562241 0.120619
H 0.412637 5.368263 0.477122
H 1.622715 4.516883 1.474522
H 1.126752 -1.197790 3.769742
H 1.201601 -1.316963 2.019404
H 1.811015 0.161061 2.841486
H -1.230692 -1.774550 3.711079
H -2.450143 -0.762690 2.905672
H -1.358887 -1.777947 1.927895
H -0.381170 0.249860 4.944573
H 0.187634 1.695492 4.051746
H -1.554149 1.310001 4.109744
H -5.515629 2.348272 -0.114057
H -4.111307 1.673264 -0.999197
H -4.452018 1.142545 0.666883
H -5.162426 3.963081 1.814549
H -4.095308 2.791770 2.635590
H -3.509656 4.444820 2.304844
H -4.751657 4.652207 -0.553368
H -3.126400 5.225190 -0.094085
H -3.318172 4.081325 -1.454299
H 1.128873 1.196158 -3.769308
H 1.203846 1.314643 -2.018911
H 1.810923 -0.164075 -2.841418
H -0.381086 -0.249346 -4.944525
H 0.185209 -1.695939 -4.051643
H -1.555922 -1.307574 -4.109867
H -1.227555 1.776507 -3.710818
H -2.448762 0.766296 -2.905990
H -1.356241 1.779645 -1.927655
H -5.168487 -3.955114 -1.814739
H -4.099713 -2.785182 -2.635585
H -3.516493 -4.439190 -2.305343
H -5.519082 -2.340123 0.114108
H -4.113719 -1.667576 0.999455
H -4.453555 -1.135869 -0.666492
H -4.758680 -4.645299 0.553003
H -3.134414 -5.220814 0.093398
H -3.324168 -4.076982 1.453917
H 2.144913 -5.565337 -0.120542
H 0.404901 -5.368989 -0.477068
H 1.616158 -4.519248 -1.474435
H 1.820288 -4.870361 2.242658
H 1.033334 -3.334117 2.684992
H 0.070684 -4.667971 2.006195
H 3.482894 -3.897523 0.759442
H 3.068021 -2.643949 -0.444635
H 2.945820 -2.295045 1.292043
84
3-Pd
C 5.407981 -3.424690 -1.257564
C 5.394441 -2.147204 -0.651811
C 6.634111 -1.521539 -0.386102
C 7.843086 -2.149124 -0.714571
C 7.840347 -3.419057 -1.315214
C 6.616687 -4.054013 -1.584554
C 4.114454 -1.482953 -0.301890
C 3.974800 -0.087311 -0.351057
C 2.758052 0.557483 -0.043202
C 1.599565 -0.205722 0.327264
C 1.759601 -1.623372 0.404242
C 2.986621 -2.232322 0.093164
C 0.685293 -2.544060 0.894056
C -0.507751 -2.770339 0.179398
C -1.484867 -3.646808 0.674838
C -1.278807 -4.323343 1.887226
C -0.082322 -4.128436 2.596890
C 0.891719 -3.248608 2.101824
Ge -0.039775 0.772241 1.030671
C -1.689953 0.082959 0.076933
C -1.877303 0.152813 -1.333753
C -3.130897 -0.136891 -1.902738
C -4.240967 -0.505763 -1.116245
C -4.065307 -0.539954 0.278777
C -2.824866 -0.245727 0.876183
C 2.748020 2.039731 -0.113351
C 3.798368 2.797610 0.431727
C 3.754586 4.207040 0.452245
C 2.656016 4.896892 -0.080866
C 1.593189 4.174059 -0.676036
C 1.631632 2.740511 -0.698039
C -0.815656 0.624734 -2.277544
C 0.364758 -0.104242 -2.522892
C 1.329500 0.374688 -3.422475
C 1.124252 1.586380 -4.100996
C -0.057572 2.313795 -3.880951
C -1.019333 1.834489 -2.978697
C -5.546216 -0.838268 -1.739709
C -6.762507 -0.538821 -1.084333
C -7.994571 -0.853768 -1.672970
C -8.038672 -1.474311 -2.932508
C -6.838585 -1.777230 -3.596582
C -5.606879 -1.463772 -3.006169
C -2.747368 -0.263399 2.362099
C -3.716456 0.419043 3.130229
C -3.625564 0.455795 4.528239
C -2.566761 -0.195531 5.187271
C -1.607318 -0.890072 4.437414
C -1.698722 -0.926876 3.036822
H -4.897107 -0.840500 0.919056
H -3.246708 -0.049068 -2.985042
H 4.815510 0.522820 -0.686939
H 3.069353 -3.317444 0.182663
H 4.639969 2.276415 0.892741
H 4.579589 4.763105 0.902339
H 2.627847 5.988414 -0.063537
H 0.824620 4.694389 -1.250814
H 0.996550 2.197329 -1.395932
H 1.818085 -3.082027 2.655947
H 0.088074 -4.652321 3.540162
H -2.045532 -4.995694 2.277870
H -2.411359 -3.788795 0.115143
H -0.684436 -2.248722 -0.758104
H 6.644595 -0.546568 0.105392
H 8.789192 -1.650352 -0.492143
H 8.782452 -3.909257 -1.570074
H 6.602735 -5.038218 -2.058420
H 4.460339 -3.913491 -1.492866
H -4.522106 0.948516 2.617161
H -4.374074 1.003596 5.105442
H -2.496009 -0.161228 6.276685
H -0.789826 -1.416439 4.934344
H -0.995281 -1.529576 2.467920
H -6.736341 -0.032554 -0.117297
H -8.922001 -0.605577 -1.151780
H -8.998788 -1.719035 -3.391988
H -6.861118 -2.267196 -4.572708
H -4.677670 -1.725770 -3.516349
H -1.932761 2.402879 -2.791383
H -0.225908 3.258475 -4.403013
H 1.880881 1.963836 -4.791968
H 2.245796 -0.197271 -3.580579
H 0.541861 -1.040538 -1.998983
Pd 0.360679 3.065852 1.039379
100
4-Pd
C 2.161834 2.930040 1.499572
C 1.928681 1.576257 1.854849
C 3.002765 0.654636 1.887486
C 4.296773 1.111892 1.582994
C 4.546451 2.440537 1.208428
C 3.462152 3.334543 1.156997
C 0.588905 1.196171 2.402717
C -0.378071 0.435652 1.694697
C -1.599309 0.126405 2.379157
C -1.817015 0.554442 3.699468
C -0.848630 1.301516 4.382481
C 0.342614 1.623073 3.726959
Ge 0.021054 -0.632271 0.003768
C 0.760377 0.240552 -1.682154
C 1.857500 -0.429285 -2.302300
C 2.176699 -0.189063 -3.650827
C 1.423052 0.708366 -4.418508
C 0.347266 1.375004 -3.823543
C 0.006957 1.145589 -2.473437
C 2.748813 -1.361640 -1.535616
C 4.013170 -0.875310 -1.104880
C 4.850992 -1.713764 -0.357031
C 4.475175 -3.028077 -0.022126
C 3.256714 -3.513625 -0.516279
C 2.397716 -2.712967 -1.295708
C 4.476436 0.513863 -1.496198
C 1.174373 -3.360179 -1.915226
C 5.362403 -3.885525 0.858066
C -1.182032 1.893791 -1.957990
C -1.014930 3.252427 -1.580746
C -2.141736 4.006627 -1.221039
C -3.437806 3.458953 -1.266605
C -3.582249 2.123390 -1.666229
C -2.474751 1.322381 -2.003443
C 0.355774 3.900588 -1.642939
C -4.639692 4.282151 -0.850726
C -2.721059 -0.104753 -2.458369
C -2.712095 -0.621555 1.708996
C -2.654227 -2.065324 1.636731
C -3.648130 -2.737962 0.851387
C -4.719107 -2.019701 0.245636
C -4.803894 -0.642835 0.457922
C -3.808203 0.070026 1.176724
C -1.846364 -2.834302 2.679386
C -5.746715 -2.752697 -0.590926
C -3.958107 1.560885 1.409226
C 2.792847 -0.796040 2.280813
C 5.943059 2.895498 0.836245
C 1.038282 3.949502 1.559224
H -2.763417 0.299570 4.183137
H -1.021990 1.628978 5.410186
H 1.113739 2.203008 4.239776
H 3.025693 -0.716860 -4.092285
H 1.670055 0.882414 -5.468282
H -0.256212 2.077768 -4.403607
H -3.697466 -3.830944 0.889295
H -5.650929 -0.088416 0.045111
H 5.127119 0.403580 1.631273
H 3.637136 4.377377 0.875420
H 2.970099 -4.549602 -0.311397
H 5.820609 -1.331424 -0.024917
H -4.581925 1.682205 -1.708324
H -2.008960 5.051646 -0.925048
H 3.747497 1.281112 -1.197424
H 5.439474 0.748997 -1.022083
H 4.597554 0.591030 -2.589608
H 1.483430 -4.103602 -2.673002
H 0.581307 -3.887181 -1.147201
H 0.520589 -2.624103 -2.402629
H 6.429747 -3.700721 0.653189
H 5.190979 -3.661405 1.926704
H 5.159846 -4.958025 0.709003
H 1.113124 3.304287 -1.111893
H 0.697486 3.985406 -2.688662
H 0.331498 4.908988 -1.203817
H -3.280027 -0.119645 -3.411591
H -1.784268 -0.660447 -2.606381
H -3.323295 -0.644064 -1.709908
H -4.525105 5.338672 -1.143373
H -5.566367 3.894583 -1.303783
H -4.771507 4.256945 0.246055
H 3.738457 -1.246985 2.618344
H 2.044015 -0.891525 3.082102
H 2.442235 -1.399833 1.424784
H 0.777102 4.183242 2.605407
H 1.335694 4.885527 1.063055
H 0.121751 3.573670 1.080285
H 6.140109 3.920602 1.190655
H 6.707898 2.227461 1.263922
H 6.079173 2.896358 -0.260305
H -1.771712 -3.897856 2.406721
H -0.832188 -2.423491 2.781100
H -2.343702 -2.760567 3.664425
H -4.116257 1.772647 2.480592
H -3.057170 2.109756 1.099425
H -4.813825 1.960757 0.848172
H -6.095313 -3.669849 -0.085699
H -6.621575 -2.115906 -0.795366
H -5.318803 -3.060940 -1.561387
Pd -1.539936 -2.345901 -0.233710
88
5-Pd
C 4.897421 1.272079 -1.896370
C 5.356631 0.154740 -1.224485
C 4.513045 -0.989735 -1.014295
C 3.153184 -0.974446 -1.488809
C 2.684330 0.207111 -2.201813
C 3.561022 1.314302 -2.415248
C 2.299900 -2.092910 -1.216557
C 2.837019 -3.212616 -0.570436
C 4.181781 -3.244821 -0.140139
C 5.002860 -2.144732 -0.346376
C 0.869087 -2.158874 -1.667864
C -0.140932 -1.218455 -1.302060
C -1.418943 -1.336392 -1.916529
C -1.723955 -2.428432 -2.755792
C -0.755219 -3.399980 -3.024851
C 0.535789 -3.247007 -2.505748
Ge 0.230124 0.285919 0.016603
C -1.442652 0.405588 1.196010
C -2.082489 -0.746234 1.730899
C -3.339689 -0.619172 2.362338
C -3.954607 0.630953 2.494521
C -3.281632 1.783872 2.068587
C -2.019345 1.686612 1.452001
C -2.400848 -0.218576 -1.825941
C -3.765228 -0.401269 -1.405201
C -4.647875 0.741974 -1.376817
C -4.173586 2.006663 -1.831590
C -2.867219 2.153619 -2.263160
C -1.979665 1.048652 -2.238637
C -5.981879 0.577487 -0.902590
C -6.445379 -0.661587 -0.488666
C -5.588382 -1.792875 -0.543959
C -4.281762 -1.662400 -0.990466
C -1.452018 -2.098259 1.674830
C -0.081291 -2.316764 2.075329
C 0.476276 -3.648576 1.975521
C -0.332657 -4.717356 1.494399
C -1.659340 -4.496461 1.166868
C -2.212425 -3.196586 1.274058
C 1.824042 -3.872783 2.380097
C 2.613782 -2.842430 2.865796
C 2.069104 -1.541753 2.990733
C 0.752806 -1.290715 2.622360
C -1.286993 2.931502 1.064765
C -1.846115 3.847652 0.178998
C -1.072736 4.895489 -0.387469
C 0.280906 4.994147 -0.107082
C 0.879097 4.125701 0.851468
C 0.059468 3.147673 1.527245
C 0.627558 2.410827 2.606011
C 1.976089 2.511153 2.907042
C 2.818472 3.365964 2.144107
C 2.274097 4.179197 1.158180
H 1.316921 -3.964890 -2.764934
H -0.987879 -4.244354 -3.677822
H -2.709005 -2.482942 -3.223702
H -3.821584 -1.511647 2.766744
H -4.934142 0.710857 2.970318
H -3.715937 2.772747 2.234094
H -2.875566 3.700838 -0.142993
H -1.538522 5.583494 -1.096878
H 0.905112 5.741414 -0.603382
H 2.903289 4.884957 0.610299
H 3.887812 3.409660 2.358890
H 2.398209 1.926707 3.726975
H -0.021165 1.747532 3.176981
H 0.109099 -5.713306 1.406679
H -2.284998 -5.319043 0.813707
H -3.256411 -3.034652 1.010547
H 2.228524 -4.884221 2.290030
H 3.650901 -3.030525 3.148123
H 2.677044 -0.727699 3.389577
H 0.331541 -0.306834 2.805680
H -4.862895 2.855322 -1.834227
H -2.503506 3.120517 -2.612589
H -0.953449 1.175078 -2.590686
H -3.625273 -2.529177 -1.024206
H -5.959693 -2.770625 -0.228213
H -7.470176 -0.771822 -0.127315
H -6.636096 1.452892 -0.874736
H 2.183366 -4.062145 -0.373187
H 4.563182 -4.129994 0.373614
H 6.039188 -2.148484 0.002528
H 1.787562 0.092574 -2.817589
H 3.281944 2.094471 -3.126567
H 5.558002 2.127117 -2.059058
H 6.381423 0.116609 -0.846746
Pd 2.059474 1.566208 -0.627620
114
6-Pd
C -3.562305 -0.589815 1.775052
C -3.476215 -0.248964 0.397278
C -4.426055 -0.788742 -0.513090
C -5.378841 -1.713337 -0.046389
C -5.434536 -2.103503 1.302085
C -4.531166 -1.510601 2.203685
Ge -2.076407 1.012835 -0.249350
C -0.260777 0.347845 0.217357
C 0.130551 -1.013587 -0.004639
C 1.497697 -1.352689 0.045132
C 2.500592 -0.414287 0.352958
C 2.093092 0.906586 0.612252
C 0.746717 1.313130 0.542696
C -0.856016 -2.115237 -0.349105
Si -0.863348 -3.582098 0.892504
C 0.551363 -4.838604 0.644010
C 3.974776 -0.769142 0.365513
Si 4.707158 -0.440241 -1.390575
C 3.635972 -1.286159 -2.712497
C 0.442982 2.781637 0.781538
Si 1.089553 3.863665 -0.678300
C 2.868773 4.485154 -0.367127
C -4.426122 -0.404645 -1.981672
C -6.422346 -3.151555 1.771924
C -2.646353 0.064914 2.791155
Si -0.813534 -2.508845 -2.225823
C 0.675024 -3.581666 -2.742258
Si 4.412688 -2.476761 1.134570
C 6.209291 -2.403377 1.770919
Si 0.882966 3.376311 2.553255
C 2.730132 3.204202 2.999312
C -2.423096 -3.428350 -2.688302
C -0.689978 -0.846577 -3.157713
C -0.745687 -2.883074 2.662091
C -2.528955 -4.491784 0.705790
C 0.375417 5.209021 2.713644
C -0.114108 2.328696 3.794237
C 1.046119 2.840699 -2.283449
C -0.041580 5.390879 -0.856436
C 3.268098 -2.812262 2.620857
C 4.264694 -3.892513 -0.140157
C 4.719381 1.440845 -1.687711
C 6.501461 -1.080701 -1.510326
H 1.777451 -2.384409 -0.164577
H 2.855023 1.650043 0.847968
H -6.095350 -2.137815 -0.756063
H -4.582696 -1.772037 3.265053
H -1.879952 -1.732074 -0.216790
H 0.775897 -3.590912 -3.841882
H 1.618928 -3.193119 -2.332188
H 0.561797 -4.626288 -2.409383
H -2.644439 -3.331525 -3.765501
H -2.339023 -4.504983 -2.463307
H -3.289772 -3.042881 -2.127810
H -0.734103 -0.999000 -4.250634
H -1.493196 -0.135609 -2.892037
H 0.263586 -0.345838 -2.922483
H 0.465787 -5.638549 1.401344
H 0.515885 -5.317604 -0.347599
H 1.547257 -4.386362 0.763232
H -2.666004 -5.217750 1.526796
H -3.366812 -3.776367 0.743213
H -2.599895 -5.045141 -0.244906
H -0.510829 -3.680660 3.388355
H 0.035342 -2.109845 2.745820
H -1.704873 -2.429565 2.955004
H -0.652148 2.945775 0.739512
H 3.230269 5.060757 -1.237648
H 2.916355 5.148763 0.512540
H 3.579154 3.659366 -0.204574
H 0.198868 5.958252 -1.772676
H -1.102991 5.082663 -0.916107
H 0.054414 6.075218 0.001940
H 1.515585 3.382759 -3.123148
H 1.568388 1.879037 -2.157577
H -0.000567 2.608800 -2.553551
H 2.915110 3.663290 3.986779
H 3.029555 2.145316 3.063979
H 3.389947 3.700375 2.269853
H 0.432792 5.542208 3.764767
H 1.032117 5.867837 2.121104
H -0.659173 5.372559 2.366368
H 0.150114 2.582517 4.835779
H -1.199217 2.484120 3.676579
H 0.084753 1.253948 3.647297
H 4.493644 -0.026636 1.005176
H 3.965765 -1.005229 -3.727707
H 3.690127 -2.384010 -2.635311
H 2.578248 -0.996587 -2.606693
H 6.927414 -0.842522 -2.500868
H 7.150740 -0.615254 -0.749475
H 6.561049 -2.172921 -1.375780
H 5.137378 1.684935 -2.680087
H 3.703727 1.860508 -1.639345
H 5.332907 1.961295 -0.931460
H 3.518212 -3.772336 3.105493
H 3.375464 -2.016362 3.378657
H 2.208580 -2.846098 2.327849
H 6.476933 -3.343653 2.284127
H 6.935671 -2.246387 0.958122
H 6.336218 -1.583134 2.499131
H 4.434047 -4.870086 0.344422
H 3.272955 -3.933355 -0.618319
H 5.011538 -3.789731 -0.945743
H -6.784245 -2.934099 2.789907
H -7.291246 -3.214686 1.097827
H -5.948061 -4.149289 1.797711
H -4.364837 0.692926 -2.099751
H -3.557743 -0.826846 -2.512427
H -5.335126 -0.771811 -2.484014
H -1.588835 -0.047753 2.509083
H -2.849731 1.148123 2.856351
H -2.783808 -0.363046 3.795891
Pd -2.490870 2.859239 -1.464281
132
7-Pd
C 3.355689 0.145504 1.559718
C 3.061910 0.515923 0.215327
C 4.075014 0.391397 -0.776682
C 5.297204 -0.215496 -0.436068
C 5.569805 -0.655063 0.868186
C 4.603032 -0.426436 1.860623
Ge 1.300531 1.334795 -0.273014
C -0.270061 0.169699 0.092894
C -1.544070 0.820284 0.246354
C -2.730093 0.072098 0.123815
C -2.721637 -1.315012 -0.118330
C -1.472142 -1.948445 -0.194883
C -0.252491 -1.254690 -0.077402
C -1.679406 2.288156 0.598417
Si -2.286055 2.492267 2.407475
C -4.141337 2.146263 2.668841
C -3.993169 -2.112457 -0.283180
Si -4.742445 -1.784371 -2.025444
C -5.214375 0.041677 -2.270262
C 1.011638 -2.084608 -0.144636
Si 1.354886 -2.665926 -1.940780
C 0.203885 -4.064068 -2.539223
C 3.927582 0.992078 -2.178069
C 4.415899 0.077147 -3.319337
C 6.869391 -1.378049 1.196885
C 8.113080 -0.557321 0.787132
C 2.359965 0.461469 2.676832
C 2.443226 1.973671 3.014907
Si -2.513656 3.311476 -0.799964
C -4.417758 3.375782 -0.651566
Si -5.182151 -1.977196 1.223452
C -6.179386 -3.599146 1.336191
Si 1.079809 -3.402844 1.258787
C 0.310870 -5.089784 0.796592
C 4.642067 2.362637 -2.211329
C 6.887736 -2.772010 0.524038
C 2.542254 -0.365824 3.964410
C -1.867582 5.104855 -0.693407
C -2.035741 2.551385 -2.478434
C -1.310317 1.251605 3.477419
C -1.885619 4.274963 2.956690
C 2.911702 -3.703219 1.691705
C 0.120153 -2.716321 2.757479
C 1.020994 -1.190940 -3.102161
C 3.172380 -3.240494 -2.010086
C -4.127987 -1.782793 2.798911
C -6.401845 -0.520797 1.050719
C -3.404798 -2.246073 -3.302549
C -6.288633 -2.876620 -2.267647
H -3.684918 0.585652 0.240753
H -1.441629 -3.029001 -0.344983
H 6.060298 -0.342519 -1.205928
H 4.831899 -0.722310 2.886353
H -0.671975 2.744943 0.654910
H -4.852285 3.821870 -1.563736
H -4.873317 2.381008 -0.527555
H -4.730846 4.000062 0.202273
H -2.200789 5.702835 -1.559767
H -2.214723 5.614051 0.221501
H -0.761152 5.117604 -0.676377
H -2.507878 3.091213 -3.318114
H -0.937528 2.591212 -2.604719
H -2.332074 1.491526 -2.540941
H -4.397971 2.300113 3.732179
H -4.787739 2.804826 2.068417
H -4.395409 1.105264 2.420118
H -2.052736 4.408301 4.039873
H -0.831181 4.523872 2.745176
H -2.512339 5.014106 2.429667
H -1.598997 1.322178 4.540764
H -1.490485 0.216729 3.143763
H -0.227105 1.434631 3.407815
H 1.880024 -1.446877 0.078809
H 0.399863 -4.268245 -3.606985
H 0.337065 -5.007001 -1.987322
H -0.853180 -3.763870 -2.454685
H 3.514395 -3.406367 -3.046308
H 3.838338 -2.494074 -1.545838
H 3.301232 -4.189527 -1.461445
H 1.264025 -1.438339 -4.150224
H -0.046886 -0.917952 -3.057129
H 1.598538 -0.294364 -2.834085
H 0.255311 -5.729671 1.695456
H -0.710681 -4.996929 0.393006
H 0.919341 -5.624639 0.048646
H 3.010918 -4.368612 2.567379
H 3.441224 -4.177974 0.848254
H 3.433844 -2.759630 1.913336
H 0.326452 -3.296807 3.673574
H 0.376408 -1.664724 2.955821
H -0.964697 -2.753103 2.565598
H -3.717097 -3.185789 -0.318558
H -5.591100 0.203099 -3.295658
H -5.999147 0.368565 -1.570063
H -4.343388 0.699225 -2.129786
H -6.666478 -2.795608 -3.301878
H -6.070549 -3.941089 -2.074927
H -7.106941 -2.576229 -1.591302
H -3.749677 -2.072364 -4.336670
H -2.495697 -1.642150 -3.142871
H -3.113703 -3.307684 -3.220606
H -4.753947 -1.653455 3.698776
H -3.496168 -2.674897 2.954008
H -3.454449 -0.915617 2.723072
H -6.862389 -3.583416 2.203484
H -6.787630 -3.770986 0.433196
H -5.509224 -4.468054 1.458451
H -7.004314 -0.406721 1.968862
H -5.894687 0.439747 0.869470
H -7.099840 -0.691536 0.213807
H 6.904098 -1.527544 2.290139
H 2.863495 1.211171 -2.361059
H 1.345618 0.253390 2.293190
H 4.195597 0.550303 -4.290086
H 5.504960 -0.085471 -3.269184
H 3.918448 -0.902476 -3.287354
H 4.557868 2.813059 -3.214850
H 4.173480 3.044059 -1.480875
H 5.710782 2.250450 -1.962986
H 1.696879 -0.176261 4.644128
H 2.582549 -1.444055 3.751309
H 3.467589 -0.079165 4.491005
H 1.737160 2.234080 3.820677
H 3.462718 2.221985 3.353646
H 2.217360 2.601713 2.136390
H 7.811566 -3.315987 0.783740
H 6.021160 -3.372447 0.842884
H 6.844914 -2.667290 -0.572740
H 9.034871 -1.088702 1.076200
H 8.138348 -0.404917 -0.304246
H 8.110216 0.432705 1.270241
Pd 1.245250 3.393482 -1.190961
66
8-Pd
C 1.758808 0.577399 1.338284
C 1.592508 -0.465422 0.381996
C 2.713301 -0.858930 -0.410380
C 3.932122 -0.131983 -0.371106
C 4.036805 0.994302 0.472832
C 2.964139 1.300998 1.321444
Ge -0.210923 -1.199043 -0.179544
C -1.163847 0.513328 -0.746379
C -2.402256 1.012149 -0.242135
C -2.661112 2.389792 -0.416734
C -1.800798 3.272519 -1.076312
C -0.640107 2.750755 -1.690005
C -0.352067 1.374425 -1.550000
C -3.565915 0.216950 0.420130
C -3.905393 0.791586 1.823450
C 0.827538 0.839233 -2.350591
C 0.294466 3.640132 -2.492401
C -2.156131 4.746277 -1.148454
C 2.657687 -2.041954 -1.368036
C 5.087917 -0.555436 -1.262349
C 5.284982 1.858432 0.518380
C 0.741391 0.955658 2.445587
C -0.378122 -0.088080 2.626338
C 1.468876 1.029508 3.819890
C 0.110051 2.336153 2.132718
C -4.816114 0.373143 -0.498220
C -3.351414 -1.301626 0.576420
H 5.158478 2.686375 1.232851
H 1.766896 -2.670786 -1.220029
H -3.115703 4.942025 -0.645920
H 1.797216 1.163120 -1.940928
H 6.172223 1.278296 0.825599
H 5.514760 2.294286 -0.469284
H 2.670229 -1.709036 -2.422054
H 3.542818 -2.685068 -1.231909
H -1.385729 5.370147 -0.662783
H -2.239775 5.095553 -2.191866
H 0.838141 -0.259457 -2.407401
H 0.764356 1.202928 -3.389993
H 3.086740 2.146863 2.000781
H -3.586917 2.805184 -0.015705
H -4.288192 -1.752415 0.945156
H -3.093119 -1.778968 -0.380808
H -2.566126 -1.557312 1.302705
H -5.666428 -0.173244 -0.056497
H -5.111407 1.425446 -0.621690
H -4.610685 -0.046579 -1.496044
H -4.763639 0.241743 2.244899
H -3.054342 0.681401 2.511392
H -4.174884 1.857522 1.779535
H -0.598126 2.617856 2.931252
H 0.892531 3.109808 2.076460
H -0.430399 2.316016 1.177436
H 0.730769 1.247986 4.609752
H 1.958032 0.070040 4.052678
H 2.230709 1.821678 3.850267
H -0.979629 0.158550 3.516564
H -1.086895 -0.072854 1.786157
H 0.026499 -1.104262 2.755703
H 0.207566 3.441449 -3.576375
H 0.084300 4.706043 -2.332338
H 1.346759 3.456350 -2.220897
H 4.769569 -0.639654 -2.315527
H 5.925767 0.152630 -1.217881
H 5.473046 -1.549588 -0.973634
Pd -0.763473 -3.371664 -0.338923
58
9-Pd
C -0.935573 0.324801 0.994209
Si -2.103610 -1.132546 1.481244
C -1.277465 -2.832445 1.187794
Ge -0.012509 -0.266254 -0.681745
C 1.974145 -0.251355 -0.405324
Si 2.656283 -1.404693 0.962341
C 2.362077 -3.207462 0.415826
Si -1.892932 1.983827 0.801425
C -3.308927 2.150304 2.075645
Si 2.618678 1.553259 -0.383168
C 2.495936 2.262240 1.381245
C -0.754413 3.478183 1.144941
C -2.609014 2.122006 -0.957236
C -2.520437 -1.017892 3.339675
C -3.655093 -1.111191 0.379117
C 4.430573 1.617854 -0.975175
C 1.604050 2.598833 -1.622749
C 4.539449 -1.162108 1.181042
C 1.854446 -1.094396 2.665649
H -0.180845 0.452671 1.790572
H -1.979918 -3.638681 1.465599
H -1.028536 -2.968746 0.120158
H -0.356468 -2.978929 1.773865
H -3.111546 -1.895704 3.655794
H -1.596682 -1.006889 3.944875
H -3.095631 -0.113359 3.589090
H -4.289985 -1.991214 0.583440
H -4.275594 -0.208961 0.496561
H -3.329188 -1.162949 -0.676996
H -3.823968 3.115795 1.923516
H -4.064671 1.353648 2.001568
H -2.917991 2.144157 3.107424
H -1.335014 4.410486 1.025981
H -0.371772 3.459938 2.179881
H 0.113153 3.535282 0.472307
H -3.300117 2.979967 -1.038156
H -1.809969 2.253220 -1.706394
H -3.150940 1.205214 -1.239977
H 2.342461 -0.683405 -1.357951
H 2.662975 3.352746 1.392765
H 1.504968 2.074367 1.821044
H 3.249957 1.799728 2.040267
H 4.759782 2.667119 -1.079761
H 5.118120 1.114862 -0.278177
H 4.540875 1.137862 -1.963022
H 1.909145 3.660088 -1.597895
H 1.766324 2.225641 -2.649013
H 0.517001 2.565679 -1.440600
H 2.700855 -3.922675 1.186061
H 1.297854 -3.409196 0.214351
H 2.922516 -3.425857 -0.510048
H 4.937797 -1.925859 1.872668
H 5.080619 -1.262032 0.225322
H 4.784351 -0.173208 1.603232
H 2.366160 -1.704650 3.430821
H 1.942468 -0.038888 2.970881
H 0.787921 -1.362628 2.687113
Pd -1.173534 -0.877752 -2.502501
70
10-Pd
C -0.929767 -1.716684 0.000000
Si -0.751575 -2.741741 1.627985
C -0.493463 -1.602873 3.137029
Ge 0.428036 -0.254353 0.000000
C -0.314642 1.662512 0.000000
Si -1.387093 1.975289 1.587008
C -0.340845 1.848119 3.183482
Si -0.751575 -2.741741 -1.627985
C -2.360717 -3.734453 -1.889044
Si 1.321690 2.735854 0.000000
C 2.417077 2.396582 1.527553
Si -1.387093 1.975289 -1.587008
C -2.873395 0.785134 -1.767261
C -0.493463 -1.602873 -3.137029
C 0.771342 -3.882337 -1.628613
C -2.360717 -3.734453 1.889044
C 0.771342 -3.882337 1.628613
C 2.417077 2.396582 -1.527553
C 1.011680 4.623215 0.000000
C -2.181666 3.716715 -1.642705
C -0.340845 1.848119 -3.183482
C -2.181666 3.716715 1.642705
C -2.873395 0.785134 1.767261
H -1.953095 -1.305248 0.000000
H -0.479414 -2.211774 4.058576
H 0.486947 -1.101303 3.065795
H -1.261820 -0.826543 3.258371
H -2.338291 -4.255746 2.862446
H -3.244342 -3.072545 1.886090
H -2.512282 -4.494011 1.104793
H 1.017214 -4.155821 2.669870
H 0.633239 -4.812967 1.058616
H 1.636592 -3.340910 1.205016
H -2.338291 -4.255746 -2.862446
H -2.512282 -4.494011 -1.104793
H -3.244342 -3.072545 -1.886090
H -0.479414 -2.211774 -4.058576
H -1.261820 -0.826543 -3.258371
H 0.486947 -1.101303 -3.065795
H 1.017214 -4.155821 -2.669870
H 1.636592 -3.340910 -1.205016
H 0.633239 -4.812967 -1.058616
H -3.297521 0.926117 -2.777869
H -2.621540 -0.277881 -1.663838
H -3.673067 1.015503 -1.046734
H -2.420080 3.944738 -2.697346
H -3.125104 3.758800 -1.077241
H -1.532303 4.519202 -1.266113
H -0.996667 1.577907 -4.029288
H 0.117551 2.821932 -3.421037
H 0.467171 1.105681 -3.136385
H -0.996667 1.577907 4.029288
H 0.467171 1.105681 3.136385
H 0.117551 2.821932 3.421037
H -2.420080 3.944738 2.697346
H -1.532303 4.519202 1.266113
H -3.125104 3.758800 1.077241
H -3.297521 0.926117 2.777869
H -3.673067 1.015503 1.046734
H -2.621540 -0.277881 1.663838
H 3.431007 2.775162 1.306834
H 2.060726 2.904184 2.436499
H 2.508839 1.317847 1.738555
H 3.431007 2.775162 -1.306834
H 2.508839 1.317847 -1.738555
H 2.060726 2.904184 -2.436499
H 1.998565 5.120681 0.000000
H 0.471380 4.975090 -0.892656
H 0.471380 4.975090 0.892656
Pd 2.589486 -0.879124 0.000000
95
11-Pd
C -1.606852 0.162818 1.199961
C -0.441140 -0.604247 1.319996
C 0.525436 -0.630884 0.288684
C 0.266996 0.144398 -0.864941
C -0.887497 0.922313 -0.977345
C -1.852479 0.950961 0.054317
N 1.710109 -1.417144 0.369469
Si 1.630224 -3.120142 0.948522
C 1.793479 -3.183575 2.845250
N -3.027485 1.756244 -0.036029
Si -2.798647 3.532772 0.088140
C -1.368785 4.116223 -1.022310
Ge 3.384252 -0.642441 -0.021737
N 3.128216 1.196515 0.172327
Si 2.695211 1.880568 1.754352
C 2.601472 0.491368 3.053466
Ge -4.793584 1.042379 0.053089
N -4.485345 -0.801149 -0.314538
Si -3.910184 -1.325574 -1.909357
C -2.264581 -2.270734 -1.829593
C -4.401135 4.392843 -0.469456
C -2.429494 3.984230 1.897086
C -0.023683 -3.875474 0.412585
C 3.065278 -4.102064 0.186958
Si -5.189347 -1.961999 0.822301
C -7.019846 -2.316408 0.427968
Si 3.832837 2.193344 -1.123263
C 2.976442 3.894831 -1.153993
C -4.209102 -3.595722 0.804275
C -5.092650 -1.229757 2.584006
C -5.201344 -2.490697 -2.702435
C -3.754659 0.191272 -3.055794
C 5.709425 2.366483 -0.873773
C 3.531834 1.342290 -2.801006
C 4.062463 3.085765 2.323298
C 1.036626 2.797213 1.693212
H 0.982147 0.113351 -1.687038
H -1.058563 1.506228 -1.880734
H -2.331409 0.186697 2.014831
H -0.266840 -1.176383 2.231922
H -4.259048 5.487930 -0.437396
H -5.259209 4.148520 0.177831
H -4.673534 4.121335 -1.503474
H -3.288279 3.732758 2.543299
H -2.228520 5.064638 2.006742
H -1.548178 3.440671 2.271874
H -1.562568 3.901204 -2.086809
H -0.416467 3.640343 -0.744207
H -1.244881 5.208985 -0.918737
H -0.084286 -4.925747 0.748007
H -0.135255 -3.859218 -0.682989
H -0.882643 -3.332383 0.834109
H 3.091718 -3.989890 -0.909404
H 2.943512 -5.174432 0.425883
H 4.044665 -3.770390 0.569903
H 0.962848 -2.673541 3.361563
H 2.730491 -2.702691 3.173058
H 1.810218 -4.230146 3.198620
H -4.601764 -4.282114 1.575552
H -3.141628 -3.421812 1.016395
H -4.271980 -4.116125 -0.165217
H -4.046600 -1.064238 2.893172
H -5.555769 -1.912911 3.317919
H -5.621132 -0.262078 2.662838
H -7.137975 -2.768645 -0.570344
H -7.607053 -1.381368 0.439098
H -7.469028 -3.003480 1.167256
H -4.869227 -2.801877 -3.709192
H -6.181475 -1.995588 -2.807265
H -5.352668 -3.406700 -2.107562
H -4.735501 0.676295 -3.209639
H -3.385299 -0.123225 -4.047792
H -3.064867 0.950085 -2.659331
H -2.409985 -3.278775 -1.410668
H -1.525109 -1.751279 -1.205624
H -1.835224 -2.385976 -2.841314
H 3.795361 3.533534 3.297370
H 4.231684 3.912561 1.614492
H 5.021712 2.555329 2.448933
H 1.079197 3.675666 1.030467
H 0.752852 3.151314 2.700231
H 0.239943 2.133156 1.327681
H 3.554454 -0.062081 3.129502
H 1.807049 -0.233479 2.828044
H 2.395117 0.926508 4.047284
H 6.195004 2.912870 -1.701718
H 6.148889 1.352593 -0.824921
H 5.952399 2.883647 0.069060
H 4.001280 0.341829 -2.823000
H 3.971370 1.937860 -3.620972
H 2.456297 1.220411 -3.015535
H 3.104619 4.458336 -0.216103
H 1.893320 3.789255 -1.333713
H 3.393369 4.510468 -1.970871
Pd 5.251611 -1.595072 -0.837945
56
12-Pd
C -3.201831 -2.617324 -1.249538
Si -1.507375 -1.746652 -1.288814
N -1.297068 -0.651495 0.101493
Si -2.703934 0.051949 0.951377
C -2.134189 1.217533 2.348484
C -1.416320 -0.735114 -2.903521
C -0.163498 -3.087743 -1.326425
Ge 0.221377 0.461130 0.078595
N 1.759358 -0.647525 0.184147
C 2.031586 -1.402469 1.465711
C 0.749758 -1.467130 2.336361
C 2.890780 -0.175829 -0.711418
C 2.305180 0.043602 -2.135485
C 3.531999 1.164890 -0.254802
C 4.011388 -1.227765 -0.889969
C -3.766131 1.057013 -0.265604
C -3.720883 -1.321704 1.795108
C 2.446813 -2.883049 1.227312
C 3.101922 -0.704875 2.346240
H -3.295529 -3.230028 -2.164055
H -4.049163 -1.913229 -1.234914
H -3.304395 -3.290533 -0.383470
H -2.215291 0.025387 -2.931165
H -1.528269 -1.379887 -3.793720
H -0.456272 -0.200566 -2.996255
H -0.251493 -3.765086 -0.460155
H 0.838526 -2.634904 -1.295973
H -0.252245 -3.697683 -2.243026
H -4.413752 -0.863358 2.523330
H -4.319266 -1.924962 1.096920
H -3.059280 -2.006299 2.353568
H -3.024573 1.589480 2.887222
H -1.493139 0.704757 3.085948
H -1.577660 2.088209 1.961485
H -4.636086 1.526083 0.227106
H -3.140326 1.858745 -0.697718
H -4.142219 0.440152 -1.099241
H 4.714388 -0.847396 -1.648388
H 4.586221 -1.405618 0.027631
H 3.601336 -2.183771 -1.247638
H 4.253826 1.504489 -1.017145
H 2.755428 1.940004 -0.143268
H 4.066377 1.063988 0.698268
H 3.119601 0.292698 -2.834845
H 1.799899 -0.868584 -2.487982
H 1.590489 0.884254 -2.157280
H 3.192788 -1.247635 3.301951
H 4.093014 -0.693386 1.875947
H 2.801673 0.333082 2.557674
H 2.463161 -3.405389 2.198471
H 1.717607 -3.384373 0.578455
H 3.442915 -2.986827 0.785296
H 0.983469 -2.027797 3.254633
H 0.416934 -0.460749 2.647305
H -0.077318 -1.960440 1.811714
Pd 0.074726 2.674560 -0.293952
56
13-Pd
C -3.408413 2.345794 1.691475
Si -1.663218 1.608715 1.499312
C -1.342015 0.472549 2.997581
C -0.402852 3.024630 1.532666
N -1.520143 0.642585 0.007955
Ge -0.041885 -0.508681 -0.073946
N 1.514614 0.534167 -0.021368
Si 2.890664 -0.344185 0.732710
C 3.474517 -1.771236 -0.379134
Si -2.934294 0.035450 -0.902971
C -3.882593 -1.226480 0.158251
C -4.055310 1.475867 -1.449548
C -2.340350 -0.840196 -2.488292
Si 1.835049 1.815361 -1.230323
C 2.535286 3.413991 -0.467026
C 3.121551 1.156783 -2.479007
C 0.262734 2.243909 -2.207905
C 4.333472 0.853896 1.062608
C 2.318166 -1.062162 2.398682
H -3.468087 2.841067 2.677104
H -4.200041 1.580099 1.656483
H -3.632514 3.101838 0.922639
H -2.067735 -0.358557 3.017781
H -1.423835 1.022048 3.952379
H -0.334692 0.023428 2.959586
H -0.503312 3.683021 0.654223
H 0.620854 2.622559 1.536338
H -0.538454 3.641885 2.438438
H -4.709356 1.132009 -2.270636
H -4.700959 1.856982 -0.644755
H -3.456274 2.318845 -1.834287
H -3.214505 -1.134252 -3.096677
H -1.707196 -0.184300 -3.110235
H -1.761195 -1.750934 -2.256829
H -4.744515 -1.665621 -0.374427
H -3.186201 -2.043160 0.424154
H -4.254519 -0.783276 1.097874
H 5.154423 0.301199 1.552952
H 4.738971 1.302817 0.142246
H 4.034296 1.674785 1.735152
H 4.289271 -2.347824 0.094361
H 2.625300 -2.456939 -0.557138
H 3.831173 -1.413157 -1.358672
H 3.151081 -1.582777 2.904232
H 1.948442 -0.275501 3.078527
H 1.504261 -1.793107 2.244269
H 3.326718 1.910020 -3.260565
H 4.082043 0.905066 -2.000194
H 2.751651 0.244374 -2.977267
H 2.799733 4.108081 -1.285512
H 1.808277 3.924435 0.182214
H 3.447985 3.233349 0.120840
H 0.483608 3.073991 -2.902506
H -0.085811 1.389493 -2.812197
H -0.568284 2.538531 -1.551976
Pd -0.133512 -2.755192 -0.048740
92
14-Pd
C -3.707269 1.506516 1.819016
C -4.113310 1.678508 3.303706
Si -1.909069 0.887197 1.621632
N -1.546757 0.417340 -0.057686
Si -2.728839 0.259529 -1.374186
C -1.905678 0.247187 -3.109190
C -0.642725 -0.599934 -3.381346
C -1.741111 -0.625716 2.783626
C -2.749650 -1.757161 2.481218
C -0.638886 2.207334 2.165820
C -0.404921 2.351449 3.688369
Ge -0.129282 -0.829593 -0.138774
N 1.498807 0.082787 -0.104698
Si 1.862557 1.727377 -0.717312
C 0.302699 2.641200 -1.313653
C 0.590093 3.836293 -2.253424
Si 2.867790 -1.037289 0.259986
C 2.483530 -1.932976 1.901239
C 2.066519 -0.995219 3.059827
C 3.038734 -2.309020 -1.152005
C 3.960211 -3.500666 -0.800159
C 4.562869 -0.143827 0.401641
C 5.029237 0.260138 1.819645
C -3.730007 -1.350539 -1.163980
C -4.803143 -1.592595 -2.250713
C -3.915029 1.758407 -1.461399
C -3.217414 3.137296 -1.409586
C 2.740007 2.715340 0.678872
C 2.396804 4.222109 0.742290
C 3.005956 1.547506 -2.251090
C 4.019812 2.704728 -2.417428
H -4.391292 0.783837 1.341464
H -3.844825 2.460109 1.284141
H -1.871825 -0.267632 3.820910
H -0.720597 -1.044537 2.742501
H -0.919206 3.185647 1.734186
H 0.315364 1.933593 1.689368
H -4.451255 1.660063 -2.424445
H -4.689031 1.700650 -0.679769
H -2.713102 -0.097419 -3.782799
H -1.709912 1.293113 -3.406583
H -3.008226 -2.191207 -1.138155
H -4.200748 -1.338683 -0.164393
H 5.290070 -0.866908 -0.014849
H 4.614286 0.729782 -0.265801
H 2.028800 -2.684410 -1.400456
H 3.413722 -1.795146 -2.057140
H 3.362713 -2.532415 2.200490
H 1.669047 -2.653428 1.695668
H 3.546228 0.587176 -2.218852
H 2.356954 1.494162 -3.144573
H 2.476331 2.244772 1.641702
H 3.831583 2.596739 0.580520
H -0.330839 1.916604 -1.840878
H -0.298514 2.971395 -0.455174
H -0.352719 4.305651 -2.583782
H 1.190592 4.614490 -1.757743
H 1.136666 3.516156 -3.155137
H 2.878670 4.705810 1.609445
H 2.738471 4.748201 -0.163692
H 1.309793 4.378216 0.829840
H 4.602490 2.605012 -3.349292
H 3.511405 3.682233 -2.442053
H 4.733919 2.726978 -1.577427
H 4.058225 -4.201692 -1.646746
H 4.976737 -3.165011 -0.529608
H 3.557962 -4.064572 0.057761
H 1.656974 -1.561967 3.913364
H 2.922345 -0.407123 3.423909
H 1.296473 -0.279405 2.731802
H 6.044053 0.693743 1.796019
H 4.356556 1.007604 2.265843
H 5.053232 -0.611514 2.493354
H 0.370546 3.107704 3.900928
H -1.321410 2.657679 4.218113
H -0.070351 1.397791 4.127063
H -2.678799 -2.569269 3.225047
H -3.789280 -1.387096 2.485393
H -2.546753 -2.192237 1.486990
H -5.161349 2.011752 3.393594
H -4.013838 0.730443 3.856220
H -3.482436 2.426679 3.810137
H -5.360966 -2.528410 -2.073922
H -5.535977 -0.768127 -2.278178
H -4.347331 -1.662971 -3.252709
H -0.406263 -0.632397 -4.459495
H 0.243136 -0.176974 -2.876376
H -0.757095 -1.637701 -3.025488
H -3.940248 3.962943 -1.528320
H -2.692320 3.280938 -0.452096
H -2.461960 3.233169 -2.205857
Pd -0.436094 -3.059566 -0.190782
56
15-Pd
C 3.425384 -2.502682 1.147523
Ge 1.880468 -1.310443 1.524351
C 2.311614 -0.062187 3.013022
C 0.310671 -2.399164 2.048221
N 1.516095 -0.272374 -0.018746
Ge -0.028524 0.763291 -0.024455
N -1.466396 -0.406738 -0.015441
Ge -3.102760 0.447323 0.472703
C -3.616245 1.755344 -0.928421
Ge 2.992932 0.400108 -1.002980
C 4.333522 1.206306 0.225395
C 3.800517 -1.103142 -2.026983
C 2.336599 1.756749 -2.293655
Ge -1.567889 -2.018297 -1.013362
C -2.404097 -3.466605 0.071029
C -2.720211 -1.620780 -2.589433
C 0.195760 -2.620495 -1.690024
C -4.516070 -0.936074 0.680128
C -2.798928 1.342153 2.215887
H 3.607408 -3.150947 2.021237
H 4.342700 -1.926364 0.952467
H 3.227017 -3.143920 0.274591
H 3.207706 0.532780 2.778489
H 2.487787 -0.606063 3.956868
H 1.471104 0.635575 3.164876
H 0.134401 -3.221559 1.339592
H -0.594941 -1.777108 2.079730
H 0.487545 -2.833658 3.046840
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16-Pd
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57
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74
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80
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75
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73
25-Pd
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C -3.089696 1.895123 0.263806
C -2.448887 -1.712020 1.550682
C -2.644125 -1.748358 3.084767
C -2.329669 3.201468 0.047175
C -2.285967 3.571434 -1.453606
Ge 0.019705 -0.643153 -1.251771
N -1.500659 0.190950 -2.135846
N -2.448203 -0.541050 -2.405833
N -3.377670 -1.171083 -2.684979
C 2.244861 3.180382 -0.039271
C 2.712212 4.281144 0.941948
C 2.448008 -1.650037 1.694631
C 2.932357 -3.004055 1.138331
N 1.390953 0.367818 -2.188543
N 2.407176 -0.237253 -2.519125
N 3.395095 -0.735358 -2.856495
C 2.359045 3.656293 -1.504389
C 2.625999 -1.593346 3.230272
C -2.943691 4.345359 0.886215
C -2.890966 -3.040117 0.904321
H -1.443470 1.626511 3.196485
H 1.376877 1.647049 3.204551
H 4.865494 2.651076 -0.625441
H 6.151432 0.558767 -0.229601
H 5.052172 -1.414247 0.796865
H 1.178753 2.989950 0.152491
H 2.136782 5.207233 0.778111
H 2.577924 3.966630 1.990164
H 3.780260 4.506524 0.788272
H 1.746424 4.562002 -1.645809
H 3.400523 3.909714 -1.760978
H 2.004590 2.872566 -2.188808
H 1.370645 -1.596189 1.466846
H 2.106612 -2.442831 3.704247
H 3.694895 -1.647739 3.496496
H 2.215104 -0.660898 3.649174
H 2.313819 -3.810767 1.564385
H 2.830792 -3.024632 0.040735
H 3.982172 -3.209288 1.406560
H -4.941919 2.667863 -0.529089
H -6.192193 0.532411 -0.249642
H -5.054006 -1.474841 0.662685
H -1.289463 3.068951 0.380001
H -2.373730 5.276212 0.731558
H -3.988282 4.530867 0.587851
H -2.934655 4.102725 1.961684
H -1.686320 4.486144 -1.594757
H -1.844258 2.752946 -2.039981
H -3.301549 3.765563 -1.836102
H -1.369832 -1.622772 1.344161
H -2.111096 -2.612635 3.514963
H -2.257098 -0.832256 3.559850
H -3.714052 -1.839844 3.335982
H -2.257439 -3.855090 1.291279
H -3.939065 -3.287523 1.142188
H -2.771835 -2.993195 -0.189613
Pd 0.100245 -2.836859 -0.681366
73
26-Pd
N -2.611558 -1.372676 -1.043724
C -1.485139 -1.137609 -0.313570
N -1.629624 -1.902560 0.812473
C -2.840842 -2.595031 0.796785
C -3.463294 -2.256495 -0.378273
Ge 0.386410 -0.364575 -0.730668
Pd 2.341152 -1.571059 -0.260260
C -0.589918 -2.030439 1.834328
C -3.291419 -3.488752 1.908805
C -4.803965 -2.649052 -0.912208
C -2.898780 -0.802369 -2.362017
C 0.386221 1.268237 0.531051
C 1.671070 1.690073 0.996546
C 1.797556 2.769500 1.893220
C 0.668368 3.448243 2.364583
C -0.598038 3.048666 1.924246
C -0.750863 1.980265 1.014298
C 2.937031 1.007584 0.567840
C 3.316112 -0.221743 1.224670
C 4.445112 -0.941328 0.720150
C 5.223050 -0.425971 -0.358376
C 4.851070 0.793965 -0.927862
C 3.703764 1.509400 -0.496067
C 2.771121 -0.551728 2.608962
C 3.262705 2.744405 -1.257300
C 6.443242 -1.184377 -0.838680
C -2.160912 1.701648 0.576164
C -2.641958 2.299904 -0.620198
C -3.959128 2.046230 -1.032410
C -4.828856 1.234061 -0.281082
C -4.360730 0.714761 0.933287
C -3.049758 0.956849 1.386904
C -1.778137 3.268360 -1.404088
C -6.241051 0.960196 -0.763057
C -2.655928 0.436353 2.756991
Cl 0.140530 0.626163 -2.790809
H -3.985335 -0.708046 -2.472730
H -2.439743 0.184984 -2.426449
H -2.491426 -1.452034 -3.151749
H -5.468717 -1.772951 -0.996546
H -4.728942 -3.112678 -1.910212
H -5.279545 -3.373193 -0.235770
H -4.284120 -3.899192 1.676755
H -2.601341 -4.336074 2.061665
H -3.365531 -2.942557 2.865385
H -0.975132 -2.629078 2.667892
H 0.308570 -2.494383 1.385840
H -0.311355 -1.034371 2.194789
H 2.797394 3.064361 2.221322
H 0.773031 4.279587 3.065898
H -1.491967 3.570959 2.275079
H -4.315847 2.500180 -1.962063
H -5.032374 0.112077 1.552624
H -1.580948 0.547595 2.946653
H -3.188230 0.994844 3.547047
H -2.929467 -0.624987 2.869768
H -6.771197 0.278347 -0.079041
H -6.829608 1.891381 -0.834838
H -6.243780 0.505789 -1.769865
H -1.679832 4.219653 -0.851277
H -0.765437 2.876954 -1.561756
H -2.225827 3.486517 -2.385907
H 5.440354 1.198508 -1.755461
H 4.812816 -1.805465 1.280960
H 3.290080 0.051364 3.377293
H 1.699321 -0.322947 2.680062
H 2.926537 -1.615998 2.842873
H 2.927406 3.545475 -0.580246
H 4.081557 3.130099 -1.884919
H 2.411653 2.500187 -1.917504
H 7.219306 -1.231916 -0.053148
H 6.186269 -2.224046 -1.103082
H 6.886332 -0.704806 -1.725350
109
27-Pd
C 3.240593 -0.051150 1.523660
C 2.794843 1.112654 0.843128
C 3.538889 1.642585 -0.238879
C 4.697447 0.964250 -0.655728
C 5.126420 -0.218595 -0.037116
C 4.408231 -0.692043 1.075616
C 1.470064 1.711389 1.214229
C 0.254353 1.200184 0.669760
C -0.965878 1.761968 1.140070
C -0.944081 2.825724 2.068036
C 0.258116 3.341674 2.561396
C 1.463087 2.767756 2.143635
Ge 0.472398 -0.151517 -0.861938
Cl 0.059654 1.330812 -2.578672
C -2.326666 1.248941 0.757094
C -3.088417 1.894406 -0.254510
C -4.361588 1.386625 -0.565582
C -4.910640 0.277904 0.097734
C -4.169973 -0.301374 1.138726
C -2.893973 0.170727 1.490577
C -2.590276 3.175024 -0.933657
C -3.149450 4.405304 -0.174826
C -6.299444 -0.220323 -0.303888
C -7.382121 0.790661 0.148541
C -2.171983 -0.427964 2.702692
C -2.563514 -1.888983 3.015284
C 3.072836 2.899838 -0.972793
C 3.366831 2.869992 -2.487377
C 6.225999 -1.058971 -0.670104
C 7.245333 -1.616787 0.345546
C 2.442048 -0.630501 2.692697
C 2.842563 0.057212 4.018839
C -1.260751 -1.305331 -0.795219
N -1.256808 -2.456891 -0.051427
C -2.292317 -3.311244 -0.435598
C -2.968011 -2.669084 -1.441766
N -2.322187 -1.449068 -1.642368
C -2.528631 -4.651611 0.186781
C -0.197493 -2.811369 0.889729
C -2.736942 -0.498159 -2.672219
C -4.164299 -3.087560 -2.236435
C -2.963712 3.304298 -2.426673
C -6.640900 -1.627288 0.226889
C -2.442272 0.425067 3.968105
C 3.700994 4.157440 -0.326046
C 5.562042 -2.210176 -1.471379
C 2.564750 -2.162764 2.823740
H -2.329952 -0.799328 -3.649882
H -3.832847 -0.471045 -2.705345
H -2.360327 0.486574 -2.405853
H -4.999082 -2.377512 -2.114566
H -3.933126 -3.149349 -3.313563
H -4.509521 -4.076497 -1.903813
H -3.423050 -5.112902 -0.254921
H -1.677258 -5.334121 0.022815
H -2.689492 -4.574948 1.275756
H -0.509889 -3.685727 1.472202
H 0.733722 -3.007553 0.322098
H -0.012368 -1.974672 1.570686
H 2.415637 3.129952 2.535294
H 0.253018 4.166621 3.277382
H -1.894160 3.233524 2.416920
H -4.945123 1.860855 -1.357793
H -4.592063 -1.141222 1.688442
H -1.089667 -0.388767 2.504368
H -6.326926 -0.256938 -1.409528
H -1.493461 3.192884 -0.865877
H 5.249118 1.329071 -1.523760
H 4.732866 -1.611323 1.562124
H 1.380478 -0.400449 2.512356
H 1.981137 2.969457 -0.858767
H 6.770574 -0.421150 -1.387627
H 2.255907 -0.351428 4.859708
H 3.912457 -0.113251 4.226096
H 2.666375 1.141745 3.965599
H 1.822389 -2.537396 3.548030
H 2.400049 -2.647395 1.848538
H 3.562032 -2.456774 3.191289
H 3.358483 5.068082 -0.846462
H 3.423836 4.238622 0.736433
H 4.801373 4.112224 -0.394127
H 2.869306 3.724114 -2.973890
H 4.448074 2.952551 -2.690933
H 2.986312 1.942291 -2.938820
H 6.314960 -2.832262 -1.985218
H 4.986062 -2.858696 -0.787446
H 4.869320 -1.800854 -2.228555
H 8.036289 -2.179887 -0.176588
H 7.714600 -0.803744 0.922152
H 6.759475 -2.304660 1.056845
H -1.847042 -2.321750 3.731553
H -3.563379 -1.934957 3.478031
H -2.584431 -2.508002 2.110088
H -1.926710 -0.014500 4.839172
H -2.090739 1.456853 3.843234
H -3.524752 0.444414 4.178749
H -2.783461 5.336821 -0.638481
H -4.251993 4.406628 -0.216682
H -2.846338 4.402137 0.881561
H -2.529021 4.235278 -2.824318
H -2.569182 2.471886 -3.024288
H -4.055761 3.364872 -2.568958
H -8.380913 0.473579 -0.196162
H -7.396983 0.855718 1.249234
H -7.175210 1.796012 -0.249814
H -7.590744 -1.976332 -0.208277
H -5.850728 -2.354916 -0.015231
H -6.760129 -1.609488 1.322741
Pd 2.325901 -1.489969 -1.109005
78
28-Pd
C -1.468248 2.644971 0.757695
C -0.763251 1.978788 -0.286533
C 0.015681 2.755622 -1.185022
C -0.023231 4.162559 -1.101496
C -0.794935 4.831405 -0.138936
C -1.482070 4.050464 0.804146
Ge -1.039902 -0.006952 -0.439061
C -3.010261 -0.342777 -0.293643
C -3.926934 0.525398 -0.955263
C -5.309156 0.285435 -0.834138
C -5.820705 -0.786144 -0.087318
C -4.904553 -1.653229 0.525436
C -3.514468 -1.453821 0.433901
C -3.506463 1.712127 -1.810420
C -7.315099 -0.999273 0.052435
C -2.606583 -2.459831 1.112090
C 0.924566 2.148492 -2.239775
C -0.857489 6.345004 -0.094295
C -2.211346 1.894084 1.853667
Ge 0.720342 -1.482537 0.650045
Cl 0.342994 -1.143859 2.914220
C 2.327955 -0.112847 0.265081
N 3.281938 -0.266060 -0.710966
C 4.060374 0.887858 -0.816877
C 3.600208 1.772342 0.127177
N 2.534585 1.146087 0.771489
C 3.620174 -1.499042 -1.495268
C 2.514615 -1.897442 -2.478411
C 1.864832 1.646524 2.011583
C 1.547393 3.149186 2.010550
C 4.115384 3.146839 0.432019
C 5.156594 1.067737 -1.824410
C 2.725462 1.249063 3.221945
C 4.084350 -2.623634 -0.557307
Cl -0.757888 -0.625398 -2.593921
H 4.487354 -1.198201 -2.094666
H 4.433962 -3.470070 -1.169133
H 4.916419 -2.277915 0.077500
H 3.256099 -2.975275 0.078960
H 2.910673 -2.685863 -3.138810
H 1.630865 -2.295499 -1.958889
H 2.205966 -1.039806 -3.093507
H 0.916360 1.107929 2.043866
H 0.726951 3.309235 2.723707
H 2.402991 3.753936 2.342517
H 1.208362 3.496463 1.029711
H 2.199429 1.532321 4.146266
H 2.898384 0.164962 3.240186
H 3.692748 1.778073 3.193269
H 5.557094 2.088122 -1.760518
H 5.992580 0.366439 -1.661635
H 4.786598 0.916490 -2.852112
H 5.015938 3.341455 -0.166394
H 3.371380 3.923392 0.198851
H 4.388281 3.251911 1.493134
H -6.004014 0.952839 -1.353498
H -5.275967 -2.516545 1.085687
H -4.336117 2.009978 -2.471193
H -3.235576 2.583748 -1.193829
H -2.637091 1.476563 -2.440456
H -7.555955 -2.067333 0.177366
H -7.711617 -0.467197 0.936303
H -7.856901 -0.620494 -0.829336
H -1.866403 -2.885537 0.408560
H -2.034831 -2.006577 1.936007
H -3.189746 -3.295170 1.530326
H 0.574080 4.748302 -1.807643
H -2.033240 4.545947 1.609360
H 1.725307 2.859422 -2.501908
H 1.387200 1.216348 -1.890149
H 0.371635 1.901846 -3.159728
H -1.647311 1.014958 2.208079
H -2.380828 2.553994 2.719403
H -3.188829 1.529734 1.502185
H -0.904235 6.713049 0.943722
H 0.019281 6.796947 -0.585308
H -1.757369 6.719854 -0.614317
Pd 0.757539 -3.691893 0.087960
52
29-Pd
C -0.992483 0.881715 -0.877363
C -0.747544 -0.330831 -0.166931
C -1.858506 -1.088156 0.299272
C -3.154517 -0.552983 0.180416
C -3.400272 0.684410 -0.432923
C -2.308301 1.369145 -0.982459
Ge 1.190117 -0.831310 0.129179
Cl 1.293585 -1.763855 2.206870
C -1.738688 -2.510491 0.851206
C -2.526913 -3.504598 -0.036436
C -4.815711 1.237573 -0.544521
C -5.439542 1.463536 0.852118
C 0.098393 1.647739 -1.638675
C 0.185911 3.137059 -1.242243
N 1.598232 1.095695 1.061105
C 2.729389 1.749916 0.732265
C 3.061907 2.978246 1.313091
C 2.193006 3.530170 2.266411
C 1.017566 2.839179 2.601952
C 0.751377 1.620088 1.971872
C -2.204095 -2.599746 2.320572
C -5.712584 0.307670 -1.394787
C -0.128328 1.497264 -3.161503
H 3.343404 1.239931 -0.018208
H 3.982971 3.484640 1.022982
H 2.426661 4.485155 2.740754
H 0.314508 3.235696 3.334850
H -0.144030 1.033215 2.174681
H -3.999009 -1.133330 0.559038
H -2.489285 2.301417 -1.524529
H 1.078412 1.185767 -1.442757
H 1.012786 3.623953 -1.785638
H -0.744092 3.669729 -1.499582
H 0.357398 3.258626 -0.162358
H 0.667737 2.021011 -3.717406
H -0.114278 0.433762 -3.446559
H -1.099825 1.925609 -3.457751
H -0.687472 -2.822546 0.816159
H -2.383150 -4.532669 0.335296
H -3.606749 -3.283737 -0.021926
H -2.182092 -3.457023 -1.081788
H -2.097252 -3.632406 2.691519
H -1.600029 -1.937908 2.958556
H -3.264613 -2.309828 2.412719
H -4.757100 2.214763 -1.055287
H -6.451811 1.890998 0.758296
H -5.520278 0.508683 1.397314
H -4.822117 2.148916 1.454686
H -6.725035 0.733402 -1.494875
H -5.288641 0.163876 -2.401201
H -5.801733 -0.682108 -0.917996
Pd 2.810261 -1.151988 -1.416853
18
30-Pd
C 1.305549 1.927019 -0.585632
S 3.024968 1.905513 -0.847861
C 3.078003 0.256080 -0.235885
C 1.768458 -0.157734 0.126160
N 0.795449 0.822393 -0.094294
C 4.183109 -0.597821 -0.084988
C 3.950620 -1.875563 0.436931
C 2.649908 -2.291595 0.804631
C 1.549290 -1.444275 0.657785
Ge -1.354229 0.412190 0.210329
Cl -1.986909 2.426415 -0.577318
Cl -1.184930 0.824913 2.406607
H 0.541140 -1.754170 0.937342
H 2.503151 -3.291676 1.215334
H 4.791294 -2.559467 0.565043
H 5.187910 -0.277140 -0.362325
H 0.692453 2.794812 -0.820925
Pd -1.768187 -1.619927 -0.692415
18
31-Pd
C 1.462276 -1.559043 -0.916831
O 1.251539 -0.119798 -0.821364
C 2.507960 0.629466 -0.811085
C 3.429032 0.087004 0.284902
O 3.654410 -1.318344 0.113452
C 2.410583 -2.019851 0.191088
Ge -0.623693 0.628257 0.079875
Cl 0.382873 1.436934 1.915642
Cl -0.576769 2.434362 -1.229574
H 2.961430 0.510038 -1.808566
H 2.223613 1.675159 -0.641182
H 4.413124 0.574792 0.221123
H 2.978988 0.287320 1.274101
H 2.639691 -3.089526 0.072026
H 1.930966 -1.853340 1.176215
H 1.884730 -1.762209 -1.914508
H 0.458682 -2.005253 -0.820994
Pd -2.050946 -1.121164 0.030380
152
32-Pd
C 1.549883 3.971055 -0.882436
C 2.463575 2.954505 -0.499688
C 3.708066 2.811962 -1.180995
C 3.972432 3.635307 -2.292094
C 3.064889 4.626508 -2.688736
C 1.874975 4.803613 -1.971723
C 2.279443 2.159065 0.761005
C 1.987263 0.765982 0.782537
C 2.220482 0.061660 2.001874
C 2.610523 0.765073 3.163203
C 2.785495 2.150553 3.152348
C 2.645852 2.836498 1.942030
Ge 1.146354 -0.370963 -0.694281
P 1.247147 0.528496 -3.015502
C 0.543897 2.087362 -3.746721
C 2.221500 -1.441383 2.154119
C 3.311015 -2.190210 1.607540
C 3.434415 -3.549132 1.943761
C 2.516297 -4.173148 2.799197
C 1.441529 -3.443771 3.309128
C 1.276895 -2.078446 2.999994
C 4.398009 -1.515105 0.767012
C 5.090194 -2.452380 -0.240739
C 0.116030 -1.324359 3.651742
C 0.348424 -1.188601 5.175171
C 4.841978 1.948628 -0.610955
C 5.878991 2.879426 0.063568
C 0.264256 4.229685 -0.099448
C -0.977772 4.338325 -1.008599
Ge -1.193405 0.492256 -0.561376
C -2.681755 -0.464371 0.342323
C -3.495092 0.277472 1.246642
C -4.529770 -0.374000 1.950185
C -4.830713 -1.717891 1.702536
C -4.109567 -2.415021 0.725491
C -3.016922 -1.820565 0.063484
C -3.447402 1.779674 1.415121
C -4.102435 2.603929 0.453771
C -4.237668 3.978319 0.716240
C -3.714264 4.551752 1.883003
C -3.019669 3.748046 2.790356
C -2.872191 2.364893 2.568954
C -2.410305 -2.572578 -1.097856
C -2.941254 -2.267929 -2.387605
C -2.446604 -2.940708 -3.519834
C -1.446201 -3.905047 -3.396653
C -0.950776 -4.227012 -2.128469
C -1.422236 -3.594756 -0.956888
C -4.654065 2.019986 -0.849254
C -4.600659 3.004617 -2.036493
C -2.069046 1.539953 3.568448
C -2.819338 1.404370 4.911608
C -4.135501 -1.326709 -2.578501
C -5.425408 -2.161128 -2.764193
C -0.879952 -4.058903 0.407681
C 0.312425 -5.034218 0.307734
C -6.090230 1.479420 -0.661183
C -0.659261 2.136989 3.777036
C -3.964357 -0.335218 -3.748691
C -1.951058 -4.766915 1.278735
C 5.449887 -0.847930 1.684846
C -1.253834 -1.993623 3.396574
C 5.529288 1.023545 -1.634125
C 0.391924 5.504520 0.767110
C 2.900721 0.372015 -3.827203
C 0.236414 -0.775146 -3.856673
H -1.200951 1.850978 0.154193
H -1.714006 0.792854 -1.996243
H -5.133187 0.204987 2.652763
H -5.656136 -2.203195 2.228113
H -4.398517 -3.431550 0.455457
H -4.747225 4.614684 -0.008139
H -3.833101 5.621665 2.070504
H -2.583035 4.192834 3.686760
H -2.862601 -2.713012 -4.502871
H -1.059129 -4.418391 -4.280223
H -0.190959 -5.002683 -2.053999
H -1.944666 0.532366 3.152808
H -2.230857 0.801650 5.623200
H -2.992832 2.395990 5.361918
H -3.797055 0.917276 4.767407
H -0.082185 1.516736 4.478742
H -0.104520 2.183505 2.828369
H -0.714027 3.155857 4.193823
H -4.014238 1.172008 -1.121447
H -4.853257 2.471008 -2.965774
H -5.326377 3.826201 -1.917629
H -3.595736 3.441323 -2.143750
H -6.457077 1.036416 -1.602787
H -6.121735 0.707151 0.120908
H -6.771448 2.298269 -0.374416
H -4.269412 -0.735606 -1.667548
H -6.299262 -1.496153 -2.871542
H -5.352866 -2.791169 -3.666275
H -5.592384 -2.818793 -1.896869
H -4.830985 0.344126 -3.783871
H -3.055189 0.272469 -3.622708
H -3.908616 -0.853566 -4.719843
H -0.521480 -3.167827 0.943916
H 0.700485 -5.230093 1.313426
H 0.009977 -5.991474 -0.149518
H 1.153687 -4.620029 -0.286446
H -1.462424 -5.246057 2.143406
H -2.698215 -4.069364 1.667902
H -2.463443 -5.551604 0.696784
H 2.799603 0.196705 4.075168
H 3.073319 2.681374 4.062275
H 2.865508 3.904574 1.886709
H 4.268159 -4.127507 1.545032
H 2.637988 -5.228239 3.056461
H 0.722582 -3.929470 3.971942
H 4.926346 3.535680 -2.815076
H 3.295119 5.273003 -3.539123
H 1.180596 5.594241 -2.262385
H 3.914454 -0.731066 0.173220
H 6.211026 -0.330299 1.077201
H 4.981792 -0.112872 2.355718
H 5.957235 -1.609945 2.300396
H 5.751845 -1.860708 -0.892403
H 5.709795 -3.215328 0.259547
H 4.340704 -2.960100 -0.873893
H 0.078990 -0.314496 3.225146
H -0.470613 -0.612000 5.635312
H 0.376357 -2.183721 5.649359
H 1.299334 -0.680311 5.396730
H -2.038488 -1.479605 3.973793
H -1.531212 -1.945090 2.336205
H -1.248822 -3.050319 3.705404
H 0.104465 3.384635 0.583724
H -1.879305 4.446336 -0.388839
H -0.908446 5.212643 -1.677622
H -1.097848 3.435826 -1.624415
H -0.534333 5.652943 1.346270
H 1.235316 5.426454 1.470554
H 0.554255 6.391726 0.131983
H 4.436238 1.305846 0.176491
H 6.670077 2.278330 0.542177
H 6.347176 3.547418 -0.678359
H 5.397462 3.501751 0.833756
H 6.404640 0.545780 -1.165333
H 4.849323 0.227131 -1.964335
H 5.884292 1.575184 -2.520281
H 0.526053 2.003683 -4.846623
H -0.482996 2.217004 -3.376755
H 1.146391 2.953368 -3.449687
H 0.333241 -0.680223 -4.951143
H 0.581814 -1.762685 -3.513550
H -0.817583 -0.668741 -3.566960
H 3.535827 1.217642 -3.533427
H 3.359981 -0.571332 -3.496420
H 2.777421 0.361424 -4.922721
Pd 1.677791 -2.560571 -1.100093
106
33-Pd
C 2.288056 -1.857248 -0.194745
C 2.746598 -0.566936 0.314297
C 3.014095 -0.364378 1.677845
C 2.900216 -1.461532 2.574696
C 2.448176 -2.704329 2.139078
C 2.127932 -2.915160 0.774009
N 2.733177 0.595536 -0.555667
C 1.655906 1.438924 -0.616989
C 2.141804 2.783254 -1.194544
C 3.686285 2.605056 -1.312391
C 3.950379 1.087070 -1.310877
Ge -0.123271 0.547542 -0.583147
C -1.705686 1.529840 -0.017340
N -2.889423 0.810969 0.042393
C -4.106376 1.655663 0.275822
C -3.480545 2.863382 1.007343
C -1.997721 2.939174 0.523806
C -2.924527 -0.625944 -0.012787
C -3.043475 -1.303029 -1.246431
C -2.955260 -2.709414 -1.250742
C -2.724469 -3.425953 -0.074529
C -2.604819 -2.742083 1.145345
C -2.705565 -1.339246 1.205140
C -4.744881 2.060238 -1.075160
C -5.176554 0.940006 1.115887
C -1.066567 3.236049 1.723110
C -1.845089 4.028496 -0.567131
C -3.188227 -0.574829 -2.577726
C -4.543546 -0.906727 -3.244984
C -2.578520 -0.653662 2.566155
C -1.176332 -0.827018 3.194042
C 1.491864 3.091570 -2.564378
C 1.876134 3.955896 -0.218872
C 5.255806 0.718980 -0.591068
C 3.987491 0.543258 -2.759837
C 3.299638 1.017436 2.261265
C 4.570281 1.042972 3.139570
C 2.485993 -2.231672 -1.672423
C 1.450581 -3.227385 -2.236494
C -2.026412 -0.916725 -3.540481
C -3.650367 -1.185768 3.549652
C 2.071645 1.507068 3.064239
C 3.906033 -2.821740 -1.852037
H -3.510783 2.676250 2.092810
H -4.032296 3.795221 0.809636
H -3.038270 -3.240271 -2.200956
H -2.634969 -4.514142 -0.101699
H -2.429477 -3.299033 2.066965
H -2.738126 0.423112 2.423156
H -1.146393 -0.334802 4.181842
H -0.939824 -1.894207 3.332749
H -0.400006 -0.390225 2.549364
H -3.628962 -0.601121 4.484353
H -4.663778 -1.134637 3.123225
H -3.446808 -2.237938 3.806952
H -3.143958 0.503821 -2.384454
H -4.669132 -0.320446 -4.170542
H -4.588826 -1.976117 -3.509746
H -5.391738 -0.692855 -2.574953
H -2.136972 -0.344418 -4.477141
H -1.059806 -0.665342 -3.077530
H -2.026712 -1.989744 -3.793453
H -1.898773 5.032236 -0.111122
H -0.890476 3.929823 -1.095298
H -2.644508 3.954153 -1.318154
H -0.012074 3.164200 1.436361
H -1.263885 4.248623 2.118036
H -1.244224 2.504708 2.526908
H -5.222663 1.193018 -1.551781
H -5.515384 2.829242 -0.901674
H -3.992800 2.461673 -1.766981
H -5.435798 -0.032714 0.669868
H -4.840273 0.779177 2.146656
H -6.084315 1.563044 1.141181
H 4.178281 3.054409 -0.434274
H 4.090260 3.096192 -2.210581
H 3.131004 -1.306931 3.629707
H 2.345206 -3.531192 2.846444
H 1.946062 -3.929561 0.415807
H 2.386219 -1.307985 -2.254812
H 4.133471 -2.981473 -2.919947
H 4.679894 -2.167963 -1.422146
H 3.968521 -3.793641 -1.335586
H 1.693208 -3.453301 -3.289277
H 1.461223 -4.178164 -1.679298
H 0.435009 -2.805506 -2.185501
H 3.450888 1.726078 1.435669
H 4.766115 2.069749 3.492056
H 4.451235 0.400830 4.026747
H 5.451572 0.688278 2.581367
H 2.234050 2.534089 3.435815
H 1.175584 1.494765 2.428075
H 1.890932 0.848502 3.929227
H 0.396047 3.063363 -2.486379
H 1.805370 4.090897 -2.913856
H 1.789020 2.349271 -3.318952
H 0.816483 4.219407 -0.156495
H 2.235981 3.707062 0.791505
H 2.427309 4.844148 -0.573536
H 4.325928 -0.498488 -2.794248
H 2.997152 0.608176 -3.232629
H 4.695767 1.150142 -3.346796
H 5.352649 -0.369767 -0.476315
H 6.105400 1.086440 -1.188640
H 5.302183 1.177806 0.404983
Pd 0.194186 -1.668351 0.270977
120
34-Pd
C 3.498978 -1.283592 1.132735
C 2.905526 -0.758670 -0.100282
C 3.263205 -1.411377 -1.360792
C 4.146151 -2.500326 -1.348791
C 4.718453 -2.986659 -0.166158
C 4.363177 -2.393991 1.049573
N 2.540013 0.686027 -0.210141
C 1.286417 1.174361 -0.281665
C 1.355736 2.627319 -0.766375
C 2.806628 3.040089 -0.428849
C 3.630297 1.731362 -0.419690
C 1.074439 2.630069 -2.311294
C 1.086352 4.048621 -2.914493
C 0.057648 4.955080 -2.211495
C 0.304448 4.971071 -0.691052
C 0.305913 3.544527 -0.106199
Ge -0.292085 -0.085406 -0.525614
Pd 1.067078 -1.865034 0.351877
C 4.617093 1.707783 0.750479
C 4.418270 1.522979 -1.722223
C 2.612880 -1.037034 -2.695003
C 3.606734 -0.892538 -3.875028
C 3.211850 -0.738193 2.538347
C 2.472034 -1.802529 3.393649
C -1.598388 0.010002 0.970422
N -2.776282 -0.658278 0.701046
C -3.421145 -1.293638 1.912325
C -2.362396 -0.978355 2.994009
C -1.581461 0.264791 2.493468
C -2.385520 1.539711 2.928117
C -1.660856 2.871371 2.706574
C -0.294069 2.871108 3.414061
C 0.550750 1.660758 2.977588
C -0.187949 0.323572 3.152848
C -3.478662 -0.662406 -0.557573
C -3.594108 -1.853916 -1.327471
C -4.556409 -1.894685 -2.355190
C -5.332464 -0.776965 -2.675817
C -5.098131 0.431524 -2.008396
C -4.171697 0.518090 -0.955416
C -2.570576 -2.990107 -1.255639
C -3.167294 -4.412033 -1.153129
C -3.890430 1.890853 -0.350328
C -3.261972 2.811028 -1.424371
C -4.826508 -0.709308 2.182115
C -3.589917 -2.813695 1.760896
C 1.581260 -2.119570 -3.088701
C 4.481053 -0.355852 3.347458
C -5.142256 2.547270 0.267872
C -1.712743 -2.920886 -2.543395
H -1.658615 -1.823363 3.069065
H -2.820907 -0.816997 3.982165
H -5.643022 1.330634 -2.304562
H -6.077565 -0.831788 -3.472860
H -4.659428 -2.810172 -2.941104
H -1.892236 -2.803894 -0.408488
H -0.893793 -3.655397 -2.487672
H -2.331765 -3.149871 -3.427057
H -1.276661 -1.920251 -2.664579
H -2.348152 -5.149974 -1.139316
H -3.780227 -4.564514 -0.254939
H -3.792751 -4.632559 -2.033843
H -3.135938 1.779080 0.432369
H -4.875364 3.515453 0.724024
H -5.910299 2.734757 -0.500529
H -5.587787 1.905737 1.043318
H -2.986542 3.781357 -0.977595
H -2.355222 2.344100 -1.839961
H -3.968473 2.997822 -2.249510
H -5.467922 -0.863944 1.301224
H -5.279207 -1.237275 3.036588
H -4.810248 0.361129 2.411631
H -4.344887 -3.044882 0.998146
H -2.640070 -3.297411 1.498364
H -3.935060 -3.223405 2.724556
H 2.824871 3.497198 0.574567
H 3.227062 3.769833 -1.134975
H 4.778009 -2.788599 1.979378
H 5.415173 -3.826900 -0.190410
H 4.382626 -2.983362 -2.298750
H 2.065648 -0.094092 -2.565275
H 3.066904 -0.520053 -4.761469
H 4.443767 -0.214135 -3.666296
H 4.030255 -1.874554 -4.141111
H 1.025760 -1.814937 -3.991836
H 2.096972 -3.071555 -3.299211
H 0.866098 -2.280422 -2.273542
H 2.566226 0.141499 2.431327
H 4.178452 0.073959 4.317259
H 5.078585 -1.256925 3.559331
H 5.133394 0.364161 2.841718
H 2.154603 -1.366032 4.355143
H 1.582057 -2.199603 2.878689
H 3.147044 -2.648242 3.602535
H 4.940581 0.557032 -1.704748
H 3.772321 1.560141 -2.605864
H 5.168143 2.326311 -1.806369
H 5.174650 0.761552 0.772220
H 5.332521 2.536720 0.626704
H 4.085954 1.840080 1.702216
H -0.683540 3.086332 -0.262121
H 0.488477 3.593287 0.974521
H -0.468175 5.571231 -0.181742
H 1.275830 5.455178 -0.481979
H -0.956503 4.563511 -2.405918
H 0.100035 5.978186 -2.621234
H 0.866624 3.980182 -3.993058
H 2.092754 4.494953 -2.822702
H 0.081962 2.177277 -2.462487
H 1.797161 1.986914 -2.830960
H -0.319342 0.125753 4.232779
H 0.407838 -0.491126 2.724185
H 1.493287 1.635819 3.550964
H 0.822865 1.760157 1.916011
H -0.459498 2.824612 4.506626
H 0.249051 3.810780 3.211657
H -2.288889 3.695525 3.086787
H -1.530769 3.034200 1.629291
H -2.582512 1.426107 4.009926
H -3.359247 1.565905 2.429466
71
35-Pd
C 3.536965 1.325782 -0.288110
C 2.623461 0.261496 -0.534423
C 3.099763 -1.050032 -0.816194
C 4.489663 -1.268669 -0.851795
C 5.394578 -0.225773 -0.625460
C 4.915320 1.061839 -0.344177
N 1.229782 0.510836 -0.466769
Si 0.000399 0.939899 -1.658952
C -0.000602 2.762902 -2.173137
C 2.149361 -2.223801 -1.042575
C 2.142918 -3.170453 0.180059
C 3.006162 2.699805 0.112807
C 3.911548 3.874045 -0.310468
Ge -0.000032 -0.034711 0.844883
N -1.229331 0.509921 -0.467511
C -2.623232 0.262004 -0.535357
C -3.535807 1.326516 -0.286951
C -4.914400 1.063743 -0.343383
C -5.394668 -0.222935 -0.627082
C -4.490578 -1.266195 -0.855275
C -3.100546 -1.048705 -0.819279
C -3.004027 2.699196 0.117174
C -2.759355 2.728531 1.645799
C -2.150668 -2.222672 -1.046755
C -2.471153 -2.999875 -2.342719
C 0.001435 -0.142876 -3.212005
C -3.906396 3.875322 -0.307358
C -2.142883 -3.168934 0.176208
C 2.468270 -3.000582 -2.339219
C 2.757032 2.731647 1.640676
H -5.623099 1.872294 -0.156491
H -6.470255 -0.410610 -0.663732
H -4.865018 -2.270781 -1.065023
H -2.028237 2.833523 -0.369761
H -2.318997 3.693650 1.950009
H -3.711722 2.593468 2.185173
H -2.076065 1.919721 1.951924
H -3.400386 4.829634 -0.088408
H -4.134275 3.837415 -1.384902
H -4.860196 3.872958 0.245684
H -1.133249 -1.824444 -1.155567
H -1.453944 -4.013568 0.003655
H -1.809828 -2.627740 1.080394
H -3.152377 -3.571847 0.362469
H -1.717606 -3.788907 -2.503791
H -3.459238 -3.484480 -2.286025
H -2.468582 -2.328247 -3.215793
H 4.863264 -2.273913 -1.059892
H 6.470020 -0.414341 -0.661820
H 5.624689 1.870191 -0.159017
H 1.131811 -1.825524 -1.150244
H 1.714857 -3.789939 -2.499382
H 2.464082 -2.328703 -3.212087
H 3.456693 -3.484674 -2.284089
H 1.453238 -4.014626 0.008261
H 3.152436 -3.574056 0.364674
H 1.811591 -2.629329 1.084913
H 2.032031 2.835085 -0.377196
H 2.317459 3.697956 1.942229
H 2.071401 1.924505 1.945841
H 3.707588 2.595706 2.183003
H 3.406134 4.829351 -0.094535
H 4.863515 3.871139 0.245731
H 4.142926 3.834303 -1.387200
H 0.891143 0.067385 -3.831040
H 0.002898 -1.215499 -2.970319
H -0.889243 0.065076 -3.830441
H 0.889263 3.003558 -2.780847
H -0.891779 3.002874 -2.779219
H -0.000088 3.425160 -1.292709
Pd -0.000512 -1.255756 2.726274
89
36-Pd
C -4.635458 -2.847882 -1.408411
C -3.682052 -2.648623 -0.200391
C -4.362710 -3.207118 1.074121
N -3.390951 -1.208501 -0.024216
Si -2.077539 -0.009379 -0.005554
Si 0.536826 0.012375 0.036117
Ge 3.223350 -0.037061 -0.037601
N 1.817626 -1.229547 0.068840
C 2.047486 -2.689210 0.154848
C 0.709822 -3.408169 0.289007
Ge -4.798166 0.035214 0.146082
N -3.352097 1.228793 0.084367
C -3.541161 2.686157 -0.054867
C -2.198442 3.392214 0.096595
N -0.755728 -0.006650 -1.177948
C -0.694245 0.071931 -2.648569
C -0.223049 1.482515 -3.073478
N -0.775593 -0.014239 1.206957
C -0.823733 -0.012683 2.680688
C -1.457111 1.307835 3.177892
N 1.852295 1.224776 -0.035228
C 2.194137 2.665860 0.087856
C 2.900134 2.918154 1.445034
C -2.399445 -3.435473 -0.462312
C -1.675651 -1.206795 3.168280
C 0.605396 -0.138982 3.245363
C 3.147867 3.075701 -1.062836
C 0.945741 3.540859 0.018975
C -4.121658 2.998759 -1.457447
C -4.516504 3.207263 1.027976
C 0.306946 -0.979541 -3.178117
C -2.088956 -0.209995 -3.242553
C 2.767962 -3.181425 -1.124166
C 2.930089 -3.010749 1.386766
H -2.630426 -4.485524 -0.703218
H -1.847691 -2.989693 -1.303068
H -1.770947 -3.414489 0.432737
H -4.598643 -4.277434 0.949323
H -3.696874 -3.088612 1.942299
H -5.303578 -2.668550 1.277490
H -4.842170 -3.920663 -1.558276
H -5.598547 -2.336536 -1.242667
H -4.178889 -2.442101 -2.324327
H -1.551116 1.310398 4.276943
H -0.829609 2.161916 2.876169
H -2.455136 1.438644 2.732498
H 0.583098 -0.127147 4.346556
H 1.069683 -1.076807 2.906574
H 1.230002 0.698808 2.896312
H -1.739727 -1.217460 4.269056
H -2.693948 -1.145187 2.755274
H -1.225942 -2.153813 2.829414
H 3.398321 4.146250 -0.980027
H 4.085673 2.496041 -1.023103
H 2.665354 2.898114 -2.036907
H 3.165275 3.983745 1.548751
H 2.234936 2.637015 2.277073
H 3.825301 2.321642 1.515257
H 1.222274 4.600594 0.139294
H 0.447247 3.418136 -0.950671
H 0.254934 3.266411 0.823840
H -4.281760 4.083073 -1.583217
H -3.428036 2.651891 -2.239777
H -5.088177 2.485288 -1.595991
H -4.639153 4.298776 0.932905
H -5.511467 2.742427 0.926744
H -4.123426 2.980168 2.031341
H -2.293119 4.477171 -0.070373
H -1.796127 3.219538 1.102802
H -1.501877 2.979401 -0.640055
H -0.126238 1.554898 -4.170000
H -0.945401 2.241445 -2.732545
H 0.753374 1.698849 -2.613702
H -2.055537 -0.136810 -4.341272
H -2.428369 -1.218793 -2.963296
H -2.824283 0.518431 -2.865346
H 0.358097 -0.946249 -4.278981
H 1.314139 -0.790949 -2.775464
H -0.003391 -1.988914 -2.865000
H 3.116888 -4.095949 1.445535
H 3.901799 -2.493501 1.313207
H 2.430119 -2.687647 2.313321
H 0.856401 -4.492502 0.416648
H 0.157653 -3.015733 1.155719
H 0.119193 -3.235700 -0.616123
H 2.945358 -4.268742 -1.071501
H 2.155115 -2.961743 -2.011337
H 3.741843 -2.674661 -1.232533
Pd 5.464356 -0.067958 -0.087924
45
37-Pd
C 3.351806 1.219814 -0.437481
C 2.618821 0.000167 -0.461001
C 3.351928 -1.219432 -0.437997
C 4.750288 -1.214072 -0.394570
C 5.450776 0.000292 -0.375305
C 4.750182 1.214582 -0.394039
N 1.233096 0.000110 -0.499486
Ge -0.013191 0.000258 -1.937389
N -1.239403 0.000086 -0.482087
Ge 0.006801 -0.000200 0.936709
C 2.595407 -2.533654 -0.473910
F 1.748665 -2.666822 0.590723
C 6.959127 0.000133 -0.257108
F 7.348641 -0.002294 1.049445
C 2.595163 2.533981 -0.472853
F 3.424958 3.607868 -0.451393
C -2.624489 0.000205 -0.424315
C -3.356833 1.219898 -0.387476
C -4.754136 1.214725 -0.317060
C -5.453897 0.000469 -0.277717
C -4.754344 -1.213939 -0.317359
C -3.357076 -1.219384 -0.387828
C -2.600571 2.534092 -0.429624
F -3.429940 3.607986 -0.395899
C -2.601075 -2.533723 -0.430298
F -1.850985 -2.650175 -1.569884
C -6.966803 0.000230 -0.273174
F -7.459929 -0.003611 -1.544301
F 1.830548 -2.648233 -1.603943
F 3.425303 -3.607472 -0.452798
F 7.512063 -1.097828 -0.841577
F 7.512135 1.100137 -0.837603
F 1.830210 2.648914 -1.602781
F 1.748482 2.666675 0.591896
F -1.740600 -2.665206 0.623568
F -3.430666 -3.607446 -0.396618
F -7.470918 -1.097220 0.354659
F -7.471562 1.100883 0.348420
F -1.740222 2.665243 0.624397
F -1.850266 2.650559 -1.569066
H 5.299037 -2.153965 -0.383901
H 5.298830 2.154521 -0.382938
H -5.302413 -2.153752 -0.285502
H -5.302010 2.154632 -0.285004
Pd 0.024050 -0.001057 3.166731
99
38-Pd
C 3.419246 -0.896886 -0.706254
C 2.606218 0.280585 -0.606182
C 3.253317 1.559010 -0.381132
C 4.642919 1.585704 -0.210453
C 5.449802 0.436897 -0.220629
C 4.810054 -0.771687 -0.473171
N 1.182156 0.222037 -0.611027
Ge 0.111227 -0.387622 0.821354
N -1.326456 0.079323 -0.315517
C -2.744432 0.120400 -0.176405
C -3.373204 1.372367 0.202609
C -4.771545 1.447922 0.196526
C -5.606892 0.373253 -0.147103
C -4.980573 -0.829133 -0.455863
C -3.576649 -1.010184 -0.467900
C -2.594512 2.646394 0.649942
C -1.650758 3.178324 -0.460559
C -7.133724 0.566158 -0.156335
C -7.501501 1.691234 -1.159422
C -3.168885 -2.479073 -0.815155
C -3.687821 -2.827426 -2.241220
C 2.498468 2.918584 -0.289978
C 1.520684 2.934513 0.913401
C 6.961457 0.563173 0.038369
C 7.190031 1.190632 1.438749
C 3.000578 -2.363313 -1.048431
C 3.263624 -3.264906 0.190973
Ge -0.249525 0.315177 -1.867564
C -3.531931 3.843105 0.982964
C -1.829882 2.360654 1.968446
C -7.893818 -0.714168 -0.568306
C -7.608497 0.976086 1.262748
C -1.675781 -2.844082 -0.811484
C -3.820834 -3.437543 0.228409
C 3.447341 4.127606 -0.052892
C 1.775870 3.236391 -1.623951
C 7.687964 -0.799324 -0.003180
C 7.592610 1.482617 -1.040111
C 1.542035 -2.625744 -1.460739
C 3.855770 -2.867920 -2.254048
H -5.258514 2.382095 0.458874
H -5.605625 -1.680559 -0.709739
H 5.141368 2.533676 -0.033507
H 5.411041 -1.676924 -0.488584
H -3.444474 -3.877336 -2.476872
H -4.775940 -2.700805 -2.337701
H -3.200680 -2.181611 -2.990421
H -3.558728 -4.479986 -0.019264
H -3.436764 -3.211559 1.236537
H -4.917187 -3.363239 0.255444
H -1.581078 -3.919991 -1.036342
H -1.113136 -2.302208 -1.579556
H -1.209026 -2.671436 0.170418
H -8.977336 -0.515321 -0.563128
H -7.608518 -1.039715 -1.581867
H -7.693305 -1.541389 0.131943
H -8.592162 1.857768 -1.156643
H -7.008492 2.639743 -0.895042
H -7.191045 1.416245 -2.180417
H -8.699015 1.142971 1.261808
H -7.374709 0.184519 1.992828
H -7.118531 1.904551 1.594722
H -2.906991 4.690481 1.306272
H -4.114081 4.166146 0.104947
H -4.225925 3.606893 1.804813
H -1.249190 4.164040 -0.172659
H -0.793576 2.524596 -0.627590
H -2.203438 3.292855 -1.407111
H -1.229517 3.237683 2.260060
H -2.547790 2.140942 2.774924
H -1.152214 1.501064 1.893472
H 1.202867 4.173806 -1.531529
H 2.514820 3.354685 -2.432938
H 1.077958 2.447122 -1.925901
H 1.080834 3.939509 1.026307
H 0.696131 2.232032 0.790959
H 2.059818 2.682999 1.840918
H 2.837313 5.044335 -0.028788
H 3.977983 4.051067 0.909488
H 4.187921 4.236976 -0.861139
H 3.026718 -4.315181 -0.051866
H 4.309421 -3.213752 0.528754
H 2.613458 -2.938669 1.024923
H 1.451010 -3.680278 -1.770907
H 0.857356 -2.481187 -0.621433
H 1.227558 -2.001304 -2.310612
H 3.574139 -3.908142 -2.487849
H 3.659489 -2.246714 -3.143041
H 4.936920 -2.851453 -2.059907
H 8.762041 -0.649587 0.190830
H 7.292800 -1.485605 0.763341
H 7.581123 -1.280346 -0.989085
H 8.270544 1.307726 1.628058
H 6.717686 2.182447 1.514138
H 6.763415 0.546669 2.224694
H 8.672982 1.601068 -0.850347
H 7.458414 1.049580 -2.044558
H 7.130884 2.482420 -1.033228
Pd 0.554960 -1.853414 2.461330
63
39-Pd
C -6.026035 0.688933 0.230230
C -5.180692 1.457639 1.048126
C -3.791604 1.275644 0.991313
C -3.240968 0.334406 0.099128
C -4.090603 -0.441090 -0.713959
C -5.479820 -0.264713 -0.645672
C -1.768866 0.149958 0.041253
N -1.020807 -0.213117 1.097888
C -1.523443 -0.907241 2.290423
C -0.384532 -0.941939 3.321995
N -0.983770 0.272784 -1.032450
Ge 0.572759 -0.609582 -0.096930
N 1.805316 0.803225 0.098302
Si 3.529188 0.387971 -0.130145
C 3.802072 -1.147365 -1.221579
C -1.200777 0.883925 -2.344361
C -2.130818 2.112273 -2.317540
C -1.658736 -0.162443 -3.383162
Si 1.399585 2.491446 0.485214
C 1.409296 3.560495 -1.096050
C -0.299983 2.764067 1.302265
C 2.645878 3.196216 1.753376
C -2.009358 -2.330378 1.945919
C 4.443273 1.801283 -1.038166
C 4.351141 0.061398 1.556759
H -3.654649 -1.185211 -1.381112
H -6.135703 -0.871056 -1.273753
H -7.107850 0.829974 0.277634
H -5.603744 2.198173 1.729996
H -3.122846 1.871921 1.613981
H -2.369201 -0.326648 2.698250
H -2.340790 -2.858155 2.856062
H -2.850049 -2.288140 1.235794
H -1.180304 -2.887581 1.474875
H -0.721122 -1.433512 4.248283
H 0.465137 -1.512748 2.911155
H -0.038928 0.075932 3.562111
H -0.197608 1.230628 -2.648347
H -2.100724 2.606195 -3.301994
H -3.170429 1.824557 -2.106879
H -1.802429 2.833686 -1.554336
H -1.605631 0.265905 -4.397968
H -1.012762 -1.052700 -3.335632
H -2.699075 -0.467439 -3.191599
H 2.420993 4.261935 1.938696
H 3.698885 3.125814 1.443059
H 2.549029 2.663961 2.715383
H 2.400627 3.595263 -1.574048
H 1.105271 4.598144 -0.868503
H 0.695934 3.160242 -1.836424
H -0.455616 2.115115 2.176296
H -1.136679 2.604995 0.607650
H -0.335237 3.816259 1.638421
H 5.413097 -0.218673 1.437464
H 3.839232 -0.773942 2.066007
H 4.302859 0.939247 2.220925
H 3.561448 -2.083198 -0.689999
H 4.866397 -1.178026 -1.522524
H 3.186939 -1.128048 -2.136077
H 4.376115 2.785082 -0.550197
H 4.054586 1.911850 -2.064964
H 5.513857 1.539863 -1.116702
Pd 0.957872 -2.825686 -0.374743
77
40-Pd
C -3.286734 1.500357 0.134834
C -2.460649 0.385267 0.427473
C -3.000111 -0.818012 0.955195
C -4.376723 -0.858551 1.239896
C -5.202343 0.245356 0.992720
C -4.657010 1.408571 0.435094
N -1.080249 0.449777 0.103156
C 0.010639 0.663241 0.856797
C 0.050361 1.151171 2.316991
C 0.853517 2.477363 2.360625
C -2.147498 -2.058732 1.212504
C -2.617106 -3.238990 0.331658
C -2.734884 2.769037 -0.511973
C -3.017142 4.029099 0.338166
Ge -0.022884 -0.344792 -1.424037
Cl -0.031012 1.410591 -2.829496
N 1.095714 0.398409 0.099305
C 2.480199 0.361913 0.420665
C 3.058217 -0.852595 0.889230
C 4.434056 -0.868540 1.180462
C 5.231216 0.266115 0.989106
C 4.660610 1.431749 0.464763
C 3.290101 1.500867 0.156223
C 2.258884 -2.149330 1.006105
C 2.443946 -2.867946 2.361311
C 2.734841 2.746496 -0.532411
C 3.204209 2.761442 -2.007539
C 2.655786 -3.104039 -0.145737
C 3.143995 4.066084 0.159725
C -2.157327 -2.470921 2.702459
C -3.317278 2.939164 -1.934324
C -1.342304 1.427231 2.929297
C 0.763709 0.094554 3.197071
H 4.885199 -1.791896 1.548972
H 6.297521 0.233740 1.223514
H 5.289296 2.303252 0.273829
H 1.637880 2.682413 -0.534230
H 2.769004 3.625923 -2.535008
H 4.303681 2.837168 -2.055979
H 2.890453 1.847469 -2.531315
H 2.660226 4.914199 -0.351522
H 2.849124 4.084424 1.219573
H 4.233520 4.224071 0.104603
H 1.190531 -1.919387 0.880341
H 2.024836 -4.009789 -0.117582
H 2.522478 -2.614596 -1.124209
H 3.711138 -3.411064 -0.049331
H 1.787745 -3.753123 2.402946
H 3.481761 -3.217514 2.485078
H 2.200458 -2.213074 3.209741
H -4.803679 -1.773901 1.655187
H -6.269291 0.193918 1.220787
H -5.302715 2.262905 0.221761
H -1.646364 2.661016 -0.616084
H -2.589243 4.916902 -0.155875
H -4.100916 4.195198 0.453023
H -2.577807 3.948984 1.345420
H -2.894389 3.839077 -2.410150
H -3.072473 2.069442 -2.561496
H -4.414036 3.048687 -1.894542
H -1.109287 -1.841995 0.920962
H -1.949999 -4.105743 0.477001
H -3.643928 -3.545073 0.593302
H -2.602568 -2.952287 -0.734238
H -1.491954 -3.336300 2.859697
H -1.818679 -1.650107 3.352866
H -3.172460 -2.759217 3.021155
H -1.180653 1.818281 3.946442
H -1.901564 2.176149 2.355588
H -1.958875 0.523219 3.001248
H 0.711554 0.422252 4.248146
H 0.272140 -0.885446 3.115625
H 1.818130 -0.015006 2.920066
H 0.822811 2.871403 3.389489
H 1.900446 2.318141 2.081780
H 0.415021 3.229770 1.686989
Pd -0.147085 -2.564370 -1.822794
85
41-Pd
C -2.726351 -0.087347 1.599523
C -2.407761 0.349856 0.283541
C -3.444010 0.652033 -0.646410
C -4.776493 0.639599 -0.201220
C -5.096691 0.300294 1.118417
C -4.076957 -0.082898 1.996201
N -1.074077 0.357980 -0.212379
C 0.070036 0.894386 0.309639
N 0.171883 2.007816 1.102660
C 1.386069 2.125438 1.999406
C 1.429646 0.971193 3.013870
C -3.138154 0.870544 -2.127360
C -3.946488 2.018943 -2.767972
C -1.687205 -0.654580 2.561232
C -1.837039 -2.192736 2.642769
Ge -0.101882 -1.194673 -1.037030
Cl 0.247755 -0.431495 -3.138360
N 1.099275 0.098849 -0.081660
C 2.492126 0.333105 -0.177748
C 3.020399 1.422640 -0.924696
C 4.415272 1.603103 -0.941929
C 5.275646 0.712673 -0.289704
C 4.742764 -0.394617 0.381694
C 3.355652 -0.608885 0.451680
C 2.140699 2.386760 -1.715622
C 2.554723 2.426613 -3.204769
C 2.823505 -1.865323 1.141410
C 3.439462 -2.094624 2.539371
C 3.056518 -3.100676 0.239878
C 2.177103 3.809806 -1.114630
C -0.752338 3.183855 0.969338
C -1.318900 3.394441 -0.445216
C -1.866332 3.217174 2.032573
C -3.387087 -0.455283 -2.887619
C -1.774576 -0.042605 3.976458
C 1.500437 3.464965 2.750483
H 5.413376 -1.109586 0.861888
H 6.356167 0.869190 -0.321456
H 4.828324 2.449012 -1.495441
H 1.108969 2.015663 -1.688065
H 1.868202 3.083812 -3.763755
H 3.577297 2.821101 -3.323266
H 2.510399 1.420382 -3.644212
H 1.531053 4.487849 -1.696341
H 1.830861 3.812891 -0.072043
H 3.203526 4.211571 -1.138139
H 1.734268 -1.768366 1.264228
H 2.655600 -4.003960 0.731686
H 2.540151 -2.981485 -0.726228
H 4.133227 -3.251057 0.051243
H 2.965430 -2.969804 3.013537
H 4.521174 -2.296461 2.474914
H 3.291566 -1.220108 3.191204
H -4.331345 -0.410204 3.006020
H -6.137306 0.299619 1.450395
H -5.573364 0.883684 -0.905497
H -2.071834 1.110817 -2.230616
H -3.611408 2.168352 -3.806965
H -5.024793 1.791580 -2.796367
H -3.809083 2.963589 -2.217891
H -3.099041 -0.348401 -3.945658
H -2.796750 -1.278816 -2.454697
H -4.453619 -0.731810 -2.832429
H -0.686713 -0.450532 2.168181
H -1.061286 -2.615521 3.303905
H -2.827432 -2.465315 3.043974
H -1.727571 -2.640798 1.638985
H -0.966248 -0.445493 4.607673
H -1.685135 1.053216 3.946621
H -2.731492 -0.294652 4.460390
H -0.104743 4.048037 1.148190
H 2.276253 2.052184 1.364555
H -2.356082 4.204863 2.002797
H -2.624286 2.446834 1.848211
H -1.454347 3.069398 3.041548
H -1.682411 4.432848 -0.503437
H -0.549922 3.253169 -1.215077
H -2.161392 2.732350 -0.651973
H 0.610158 1.058043 3.740632
H 1.365495 -0.002283 2.514857
H 2.388920 1.009910 3.553370
H 2.365761 3.380456 3.425108
H 1.693314 4.316325 2.081325
H 0.612150 3.681039 3.361716
Pd -0.305375 -3.363430 -0.442748
99
42-Pd
C 3.453040 -0.771008 0.587164
C 2.307036 -0.861479 -0.250917
C 2.433388 -1.242474 -1.614759
C 3.725175 -1.453605 -2.133493
C 4.863520 -1.322282 -1.331391
C 4.719973 -0.999243 0.023648
N 1.029142 -0.670426 0.348840
Ge -0.401173 -2.044032 0.722266
Cl -0.233680 -2.215456 2.963975
C 1.237248 -1.451064 -2.539825
C 1.164328 -2.922561 -3.009813
C 3.322562 -0.509736 2.086488
C 4.350946 0.508761 2.624282
C 0.113913 0.321140 0.137519
N -1.101919 -0.179998 0.472906
C -2.331531 0.446532 0.802581
C -2.500816 1.116121 2.045729
C -3.752332 1.697206 2.322484
C -4.821177 1.594163 1.425458
C -4.656019 0.880285 0.232063
C -3.421776 0.295077 -0.099394
C -1.398778 1.212327 3.098577
C -1.842723 0.511501 4.404746
C -3.291941 -0.530507 -1.377337
C -3.887155 0.173899 -2.615929
N 0.376566 1.575220 -0.356733
C -0.706123 2.303113 -1.094090
C -0.217918 2.924039 -2.423155
C -1.418443 3.429225 -3.253511
C -2.271936 4.440159 -2.460533
C -2.698420 3.854657 -1.099793
C -1.469084 3.384716 -0.291678
C 1.726097 2.175975 -0.111567
C 2.695267 2.197276 -1.319647
C 4.104767 2.608105 -0.840787
C 4.078338 3.997962 -0.172758
C 3.049016 4.042625 0.975753
C 1.649412 3.592403 0.502522
C -1.016438 2.677527 3.411597
C -3.955155 -1.914350 -1.182430
C 1.289913 -0.518697 -3.771785
C 3.449464 -1.848684 2.852341
H -5.497465 0.772332 -0.454866
H -5.784592 2.050451 1.663657
H -3.887228 2.227451 3.267425
H -0.508269 0.688229 2.726501
H -1.009980 0.503124 5.126726
H -2.690325 1.049763 4.861565
H -2.145716 -0.526179 4.212352
H -0.191594 2.702671 4.142664
H -0.702189 3.220067 2.509729
H -1.872874 3.217580 3.848158
H -2.222283 -0.710248 -1.563954
H -3.827765 -2.525351 -2.092767
H -3.493617 -2.451746 -0.337397
H -5.034734 -1.802650 -0.983036
H -3.675471 -0.418813 -3.520891
H -4.981540 0.274678 -2.531832
H -3.464082 1.181038 -2.749348
H 3.831043 -1.734576 -3.183465
H 5.856424 -1.491024 -1.754102
H 5.604721 -0.929732 0.658731
H 2.313993 -0.116321 2.279984
H 4.147663 0.713187 3.687926
H 5.379594 0.119226 2.552080
H 4.308971 1.459561 2.071563
H 3.309174 -1.684175 3.933357
H 2.689952 -2.568110 2.514920
H 4.449068 -2.286148 2.689691
H 0.311490 -1.242283 -1.985070
H 0.242790 -3.084687 -3.594244
H 2.028928 -3.172963 -3.647600
H 1.161261 -3.606961 -2.144340
H 0.365101 -0.618282 -4.363730
H 1.409091 0.531950 -3.474893
H 2.139767 -0.782550 -4.422396
H -1.433795 1.526081 -1.362307
H 0.443507 3.777692 -2.206705
H 0.359462 2.190831 -2.999812
H -1.049315 3.885013 -4.187176
H -2.042788 2.566658 -3.543545
H -1.674360 5.354075 -2.287325
H -3.155433 4.736377 -3.050237
H -3.261136 4.600998 -0.515935
H -3.370384 2.994261 -1.253784
H -0.813972 4.248699 -0.107405
H -1.789958 2.989297 0.674435
H 2.181162 1.536086 0.655317
H 1.284772 4.305109 -0.253780
H 0.942711 3.601890 1.342506
H 2.984405 5.060219 1.395225
H 3.380063 3.378536 1.792620
H 3.802556 4.755526 -0.929386
H 5.079528 4.264947 0.204597
H 4.800043 2.603755 -1.696032
H 4.470749 1.852556 -0.126734
H 2.352547 2.927575 -2.066456
H 2.733393 1.214126 -1.798307
Pd -1.055507 -3.686201 -0.687135
82
43-Pd
C 3.732197 0.573292 1.804256
C 3.435952 0.389295 0.439252
C 4.463537 0.499445 -0.518919
C 5.772790 0.796523 -0.115280
C 6.062103 0.995889 1.245674
C 5.040144 0.884201 2.203367
C 2.042731 0.080577 0.016603
N 1.356286 0.820598 -0.863314
Si 1.668157 2.349426 -1.715535
C 2.902825 2.132207 -3.149277
Ge -0.192074 -0.503920 -0.811780
Si -1.934063 0.507718 0.556750
Si -1.285174 2.298802 1.930039
C -1.366530 3.989384 1.030805
N 1.343067 -0.974982 0.469429
Si 2.008182 -2.568922 0.953880
C 2.643069 -2.548011 2.747535
C -0.023005 2.781947 -2.442524
C 2.319509 3.657940 -0.502741
C 0.583414 -3.795402 0.755921
C 3.411148 -3.013402 -0.247131
Si -3.771783 0.942716 -0.855028
C -4.187827 -0.666239 -1.796577
Si -2.545100 -1.302161 1.941456
C -1.129917 -1.587644 3.204225
C -5.265824 1.498032 0.212080
C -3.467102 2.328953 -2.138830
C -4.146752 -0.982614 2.942901
C -2.807142 -2.858234 0.854468
C -2.442667 2.399784 3.456396
C 0.499772 2.013204 2.556979
H 4.232142 0.326566 -1.569411
H 6.567470 0.867834 -0.860907
H 7.080929 1.233865 1.558319
H 5.261155 1.039982 3.261333
H 2.929817 0.491045 2.536692
H 2.777094 2.954446 -3.875990
H 3.950901 2.146243 -2.809920
H 2.724662 1.184965 -3.686196
H -0.009005 3.734552 -2.998543
H -0.336529 1.986044 -3.140199
H -0.795134 2.853638 -1.663315
H 2.504313 4.612033 -1.027377
H 1.607165 3.854225 0.314120
H 3.271285 3.334531 -0.050038
H 3.782882 -4.037118 -0.065559
H 3.033840 -2.967121 -1.283545
H 4.264180 -2.321278 -0.162163
H 2.902238 -3.574593 3.062843
H 3.546029 -1.926061 2.855654
H 1.878949 -2.170280 3.446834
H 0.939240 -4.831607 0.892247
H -0.230042 -3.615099 1.474039
H 0.162074 -3.699775 -0.261974
H -4.408277 2.538688 -2.678831
H -3.134485 3.269064 -1.668032
H -2.708369 2.040820 -2.882817
H -6.140467 1.707352 -0.430086
H -5.560087 0.729364 0.944667
H -5.036796 2.420973 0.773148
H -4.923143 -0.480932 -2.600090
H -3.266759 -1.082544 -2.248995
H -4.601354 -1.434764 -1.123263
H -2.698469 -3.787781 1.441173
H -3.821584 -2.851158 0.421244
H -2.093098 -2.893792 0.013347
H -4.309153 -1.799349 3.669625
H -4.096414 -0.035383 3.504515
H -5.032515 -0.939957 2.287833
H -1.226040 -2.566092 3.707947
H -0.146193 -1.548472 2.713953
H -1.144902 -0.806555 3.984580
H -2.171159 3.261019 4.093576
H -3.499779 2.517867 3.163657
H -2.368113 1.488854 4.073759
H -1.106353 4.806828 1.727554
H -0.667756 4.040294 0.181494
H -2.379461 4.192268 0.642738
H 0.808344 2.800857 3.267519
H 0.583694 1.038696 3.065736
H 1.209850 2.013428 1.717246
Pd -0.592468 -1.989377 -2.471586
82
44-Pd
C 3.801147 0.697950 1.760263
C 3.515646 0.455639 0.401961
C 4.540579 0.575516 -0.558142
C 5.835710 0.938744 -0.163901
C 6.113225 1.195941 1.189868
C 5.094231 1.075400 2.149628
C 2.138113 0.080521 -0.015328
N 1.446282 0.738111 -0.954529
Si 1.705270 2.228634 -1.887961
C 2.879061 1.940077 -3.359733
Ge -0.070537 -0.613532 -0.823110
Ge -1.850628 0.514976 0.482685
Si -1.197223 2.418545 1.771228
C -1.269833 4.048409 0.769726
N 1.456886 -0.958869 0.501240
Si 2.150742 -2.506734 1.085220
C 2.807124 -2.356603 2.865526
C -0.017848 2.606793 -2.570057
C 2.383986 3.604274 -0.767795
C 0.744208 -3.766770 1.001406
C 3.544819 -3.003909 -0.104990
Si -3.724399 0.825597 -0.980243
C -4.075034 -0.838716 -1.847023
Si -2.420752 -1.242045 2.013836
C -0.982617 -1.383232 3.271641
C -5.233611 1.382861 0.060548
C -3.441196 2.164536 -2.315930
C -4.027910 -0.899220 2.995918
C -2.650905 -2.860187 1.019486
C -2.377109 2.586463 3.272444
C 0.578333 2.155177 2.427355
H 4.317792 0.358147 -1.602317
H 6.628537 1.017338 -0.910738
H 7.120678 1.485803 1.495470
H 5.306136 1.276569 3.201788
H 3.001372 0.608933 2.494438
H 2.731172 2.730024 -4.117444
H 3.942073 1.954102 -3.069935
H 2.665140 0.971770 -3.843573
H -0.049363 3.557157 -3.129258
H -0.325079 1.799897 -3.257723
H -0.770976 2.655913 -1.770417
H 2.488808 4.546176 -1.334785
H 1.720094 3.798125 0.089455
H 3.377570 3.337078 -0.372510
H 3.945742 -4.003328 0.138775
H 3.150374 -3.036053 -1.135575
H 4.381025 -2.286476 -0.080590
H 3.068168 -3.358156 3.251923
H 3.711037 -1.729356 2.918581
H 2.049001 -1.928013 3.542066
H 1.127959 -4.786994 1.176803
H -0.042975 -3.564858 1.742908
H 0.282093 -3.735202 -0.002503
H -4.382883 2.342076 -2.866833
H -3.121813 3.125039 -1.878096
H -2.674957 1.860427 -3.045624
H -6.122274 1.517151 -0.582750
H -5.489209 0.649793 0.842610
H -5.036409 2.347049 0.561308
H -4.801422 -0.716673 -2.670897
H -3.134509 -1.248832 -2.264048
H -4.477637 -1.587220 -1.144542
H -2.552167 -3.756194 1.658026
H -3.657289 -2.877671 0.568128
H -1.922873 -2.939252 0.193398
H -4.190245 -1.686576 3.754692
H -3.989363 0.070668 3.518366
H -4.909234 -0.889926 2.333268
H -1.016894 -2.329515 3.840591
H -0.011223 -1.321205 2.759136
H -1.029042 -0.552330 3.997610
H -2.126213 3.479254 3.873916
H -3.429917 2.678436 2.955480
H -2.304496 1.705444 3.932417
H -1.026740 4.911199 1.416248
H -0.557504 4.047996 -0.070055
H -2.277597 4.216750 0.352651
H 0.900879 2.991305 3.073599
H 0.639525 1.223422 3.013658
H 1.292344 2.072540 1.594989
Pd -0.475082 -2.235577 -2.347866
82
45-Pd
C 3.636594 0.486228 0.290646
C 4.618449 0.695630 -0.699684
C 5.910498 1.099449 -0.337527
C 6.229999 1.307494 1.015646
C 5.254665 1.099685 2.005445
C 3.964846 0.683897 1.646976
C 2.269762 0.057619 -0.100254
N 1.621907 -0.983750 0.454442
Si 2.286825 -2.461970 1.209820
C 0.939737 -3.779582 1.017658
N 1.553937 0.649943 -1.067810
Ge 0.088135 -0.750141 -0.869075
Pd -0.305116 -2.417043 -2.346853
Si 1.672179 2.182734 -1.953863
C -0.125813 2.615167 -2.377187
C 2.467292 3.531400 -0.876810
C 2.641439 1.945908 -3.572657
Sn -1.799559 0.531001 0.487999
Si -3.642811 0.968181 -1.267237
C -3.897801 2.842954 -1.558923
Si -2.572144 -1.399650 2.006864
C -4.218304 -1.033860 2.914769
Si -0.982981 2.461487 1.985074
C -2.128352 2.551762 3.518721
C -2.769622 -2.943849 0.893024
C -1.213536 -1.682764 3.328102
C 3.850583 -2.980673 0.264037
C 2.699637 -2.190097 3.049421
C 0.792577 2.057196 2.572173
C -0.989916 4.160623 1.102406
C -3.160143 0.104341 -2.902208
C -5.278258 0.204677 -0.628086
H 4.364763 0.515232 -1.744508
H 6.669193 1.247824 -1.108806
H 7.235284 1.627968 1.296832
H 5.497493 1.266116 3.057075
H 3.197655 0.536098 2.405051
H 2.489355 2.809388 -4.244176
H 3.726056 1.843877 -3.404261
H 2.291199 1.042848 -4.100887
H -0.189562 3.540098 -2.976295
H -0.587344 1.802589 -2.962621
H -0.733436 2.751738 -1.469178
H 2.417309 4.507665 -1.390964
H 1.944252 3.634589 0.087683
H 3.525842 3.314705 -0.664273
H 4.264112 -3.921654 0.667558
H 3.612118 -3.144547 -0.800896
H 4.637310 -2.211182 0.322511
H 2.843993 -3.165370 3.547464
H 3.627063 -1.608887 3.176610
H 1.889137 -1.665684 3.581986
H 1.332528 -4.774836 1.291022
H 0.055851 -3.582240 1.643280
H 0.603345 -3.811346 -0.035555
H -4.029933 0.014666 -3.578705
H -2.375254 0.666392 -3.434006
H -2.751747 -0.906395 -2.715897
H -4.713846 3.028520 -2.280838
H -4.156023 3.360553 -0.619015
H -2.981689 3.309355 -1.956822
H -6.097063 0.351277 -1.355982
H -5.164870 -0.879993 -0.462570
H -5.589923 0.656429 0.328818
H -2.832270 -3.878132 1.480238
H -3.692600 -2.861719 0.292342
H -1.928649 -3.033374 0.181759
H -4.509671 -1.879516 3.564669
H -4.128404 -0.136615 3.551456
H -5.039294 -0.858637 2.199903
H -1.378032 -2.612363 3.902716
H -0.219902 -1.743915 2.860601
H -1.190439 -0.843706 4.045765
H -1.799531 3.339573 4.221170
H -3.171574 2.769495 3.232136
H -2.128021 1.592077 4.063153
H -0.674559 4.962172 1.795228
H -0.303620 4.174066 0.240774
H -1.996424 4.414637 0.728995
H 1.153164 2.794242 3.312642
H 0.830303 1.057260 3.035774
H 1.497502 2.053546 1.726991
91
46-Pd
C 1.820834 3.051280 -1.441687
C 0.789617 3.150860 -2.426380
C -0.025758 4.285430 -2.097869
C 0.497687 4.895686 -0.917205
C 1.632100 4.121019 -0.504837
Fe -0.100284 2.865113 -0.497403
C -0.139594 2.781602 1.245448
O -0.131500 2.832729 2.418541
Ge 0.055724 0.462330 -0.832740
N 1.088294 -0.650534 0.565260
C 2.457210 -0.969496 0.777151
C 3.139730 -1.836297 -0.126566
C 4.498756 -2.116288 0.107351
C 5.188945 -1.548739 1.183466
C 4.525080 -0.651660 2.027692
C 3.168931 -0.334365 1.835821
C 2.476903 -2.426816 -1.367657
C 3.039664 -1.732437 -2.630503
C 2.532307 0.760147 2.687704
C 2.815838 0.634928 4.200081
N -1.092403 -0.589566 0.497629
C -0.038873 -1.225246 1.040180
C -0.070803 -2.429335 2.010011
C 0.591973 -2.001661 3.344226
C -2.484928 -0.866146 0.590422
C -3.091263 -1.730201 -0.361616
C -4.473721 -1.968803 -0.263235
C -5.246571 -1.376460 0.741783
C -4.636217 -0.518815 1.664229
C -3.259729 -0.240606 1.605438
C -2.304227 -2.418379 -1.473933
C -2.401180 -3.959576 -1.396877
C -2.651884 0.709632 2.634285
C -3.309092 2.108079 2.556922
C -1.482618 -2.977813 2.329188
C 0.729987 -3.605424 1.393957
C -2.774024 0.179332 4.083139
C -2.777444 -1.926027 -2.860323
C 2.663788 -3.955794 -1.497131
C 3.037088 2.128718 2.171734
C -1.806092 2.557589 -0.747189
O -2.943617 2.386499 -0.972736
H 5.022174 -2.787117 -0.576656
H 6.242387 -1.785299 1.349200
H 5.069521 -0.173220 2.843943
H 1.445715 0.726982 2.543267
H 2.555235 2.950647 2.724032
H 4.129517 2.204707 2.301187
H 2.805871 2.238850 1.103192
H 2.268266 1.424599 4.739584
H 2.499189 -0.341057 4.596741
H 3.888424 0.762820 4.419725
H 1.399042 -2.205799 -1.332945
H 2.522458 -2.111699 -3.529181
H 2.879680 -0.643737 -2.578522
H 4.120200 -1.931232 -2.736893
H 2.098560 -4.321966 -2.370212
H 3.723821 -4.214233 -1.655244
H 2.311062 -4.490703 -0.604238
H -4.945270 -2.635507 -0.988488
H -6.318466 -1.577858 0.802752
H -5.234283 -0.049600 2.448362
H -1.585690 0.819962 2.407355
H -2.358778 0.921993 4.784452
H -3.830845 0.012192 4.349101
H -2.230887 -0.766071 4.228928
H -2.794441 2.800513 3.241194
H -3.264362 2.516910 1.539403
H -4.369675 2.051942 2.853369
H -1.243990 -2.139052 -1.383293
H -2.169165 -2.397330 -3.651880
H -3.835772 -2.185098 -3.034192
H -2.663411 -0.832252 -2.937906
H -1.809244 -4.411063 -2.210658
H -2.019179 -4.346039 -0.439154
H -3.444660 -4.297670 -1.507925
H -1.351253 -3.825008 3.021694
H -2.130482 -2.239373 2.809593
H -1.996981 -3.342790 1.432736
H 0.632541 -4.478868 2.059191
H 0.326448 -3.876916 0.406999
H 1.794048 -3.371002 1.289939
H 0.496543 -2.828151 4.067488
H 1.656970 -1.786925 3.204864
H 0.100160 -1.111831 3.766385
H 0.611029 2.429803 -3.223498
H 2.595765 2.290624 -1.404644
H 2.230179 4.299052 0.384270
H 0.084753 5.754591 -0.395920
H -0.915805 4.600829 -2.636691
Pd 0.101358 -0.325015 -2.970667
151
47-Pd
C -3.621603 3.100724 0.523834
C -2.698776 2.520439 -0.397421
C -1.985286 3.336396 -1.317482
C -2.228362 4.722955 -1.313339
C -3.126136 5.304491 -0.413501
C -3.812883 4.492303 0.497701
N -2.378030 1.139600 -0.269737
C -2.970027 0.039378 -0.779990
C -4.095899 0.055452 -1.837233
C -3.527593 0.759920 -3.096601
C -0.904404 2.782431 -2.239627
C 0.485089 3.232205 -1.743401
C -4.403252 2.256498 1.530442
C -5.901772 2.632058 1.587730
Ge -1.256067 0.086652 1.092290
N -2.373468 -1.039105 -0.233285
C -2.833087 -2.386020 -0.198108
C -3.872625 -2.744907 0.704449
C -4.262919 -4.092820 0.779808
C -3.659925 -5.069307 -0.022952
C -2.638741 -4.700352 -0.905368
C -2.196925 -3.368202 -1.000918
C -4.579500 -1.715398 1.582446
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H -6.485622 -2.055382 -1.047832
H -5.383433 -2.583254 -2.354271
H -5.220381 -3.559485 1.328787
H -3.956719 -2.353439 1.737811
H -5.616279 -1.817573 1.326446
H 5.881668 0.380941 -2.598323
H 8.301995 -0.226894 -2.777404
H 9.495392 -1.183535 -0.800557
H 8.262763 -1.546912 1.343412
H 5.831552 -0.976627 1.495020
H 5.963981 3.958992 -0.117329
H 6.464205 2.274542 -0.427011
H 5.385995 3.110523 -1.583096
H 5.127374 3.149545 2.223711
H 3.872602 1.868207 2.291213
H 5.548475 1.465679 1.801377
H 3.704290 4.546059 0.646201
H 3.004629 3.803989 -0.827313
H 2.422071 3.310009 0.793253
H 4.195479 -4.060049 -1.204165
H 5.350352 -2.703117 -1.242944
H 4.519506 -3.120494 0.282255
H 1.794233 -3.781036 -1.223057
H 1.925632 -2.968959 0.370611
H 1.042367 -2.173005 -0.971815
H 3.080608 -2.851129 -3.238033
H 2.304070 -1.256962 -2.947642
H 4.092492 -1.387742 -3.035223
H 2.661004 -1.185163 2.194127
H 1.775040 -0.537275 4.691807
H 0.210835 1.667669 4.464916
H 0.118648 2.358013 1.842348
H -0.128828 -2.779853 1.119766
H -0.239383 -2.838989 3.832011
H -1.812942 -0.784375 4.645623
H -2.685264 0.525071 2.417046
68
51-Pd
C -2.921013 0.681701 -0.666009
C -1.976902 -0.282831 -0.230825
C -2.283702 -1.669980 -0.369662
C -3.459682 -2.051898 -1.040750
C -4.338460 -1.092684 -1.562801
C -4.076839 0.263613 -1.356148
Ge -0.243307 0.226996 0.668287
C 1.424823 -0.144593 -0.600987
Si 2.855183 -0.926312 0.432914
C 4.381292 -1.372341 -0.633924
C -1.398476 -2.742011 0.274678
C -1.501522 -4.136746 -0.379867
C -2.752539 2.177312 -0.393510
C -3.995699 2.779151 0.302993
C 1.593816 1.323779 -0.754984
N 0.513015 1.988025 -0.245039
C 0.471601 3.336986 -0.191526
C 1.519279 4.112317 -0.683378
C 2.644857 3.457186 -1.225571
C 2.688439 2.061076 -1.257249
Si 1.184366 -0.940786 -2.332533
C 1.329088 -2.838860 -2.254786
C -0.459483 -0.430256 -3.144385
C 2.562223 -0.330862 -3.515707
C 3.447961 0.328400 1.734894
C 2.179947 -2.486683 1.284305
C -1.725927 -2.862660 1.784253
C -2.421704 2.952937 -1.686511
H -0.418615 3.776328 0.257821
H 1.462030 5.199950 -0.637859
H 3.484136 4.039710 -1.611211
H 3.549641 1.528030 -1.656506
H 2.956608 -2.963331 1.907813
H 1.339250 -2.201651 1.942163
H 1.819645 -3.235933 0.560696
H 5.156788 -1.822878 0.011319
H 4.160876 -2.090016 -1.439534
H 4.828319 -0.476559 -1.098888
H 4.221098 -0.122570 2.381880
H 3.882626 1.228864 1.268740
H 2.602985 0.645853 2.373119
H 1.132593 -3.260895 -3.256175
H 2.339026 -3.158441 -1.952730
H 0.614605 -3.293144 -1.557366
H 2.460533 -0.853646 -4.483639
H 2.477429 0.749788 -3.717502
H 3.577211 -0.529013 -3.136232
H -0.404524 -0.620436 -4.231344
H -1.324992 -0.973885 -2.739890
H -0.656398 0.645405 -3.004172
H -3.694823 -3.110060 -1.161987
H -5.235227 -1.406053 -2.102603
H -4.780954 1.013628 -1.723400
H -0.346436 -2.420126 0.190084
H -1.068138 -3.612170 2.256057
H -1.580575 -1.898992 2.300693
H -2.773656 -3.182248 1.913389
H -0.701857 -4.787667 0.008139
H -2.464900 -4.613498 -0.135984
H -1.414342 -4.085450 -1.476258
H -1.924938 2.299341 0.319342
H -3.809470 3.836102 0.557795
H -4.881359 2.741071 -0.351138
H -4.226708 2.229506 1.228663
H -2.279009 4.026860 -1.475913
H -1.506371 2.565143 -2.157440
H -3.248143 2.853989 -2.409078
Pd -0.027635 0.306654 2.921057
56
52-Pd
C 2.908596 0.343974 -0.875419
C 1.558982 0.712899 -0.601661
C 1.116745 1.980013 -0.986460
C 1.885977 2.882152 -1.735906
C 3.179884 2.475148 -2.085898
C 3.689277 1.240790 -1.651844
Ge -0.000004 -0.000096 0.433826
C -1.558965 -0.712852 -0.601857
C -1.116698 -1.979944 -0.986684
C -1.885825 -2.882039 -1.736282
C -3.179682 -2.474991 -2.086408
C -3.689116 -1.240647 -1.652359
C -2.908528 -0.343868 -0.875785
N 0.234843 -2.259908 -0.505443
C 1.151003 -2.602970 -1.611283
N -3.442508 0.878726 -0.417234
C -4.732904 1.301958 -0.947665
N -0.234834 2.259997 -0.505363
C -0.239162 3.301459 0.545679
N 3.442560 -0.878640 -0.416896
C 4.733009 -1.301765 -0.947277
C 0.239111 -3.301474 0.545507
C -1.150861 2.603190 -1.611263
C 3.313108 -1.190807 1.011052
C -3.313093 1.190851 1.010725
H -1.264380 3.398836 0.932095
H 0.417499 2.972714 1.363846
H 0.100692 4.278832 0.151405
H -2.155397 2.762062 -1.203503
H -0.811249 3.512830 -2.143414
H -1.186539 1.758769 -2.312824
H 0.811459 -3.512569 -2.143540
H 1.186722 -1.758483 -2.312762
H 2.155500 -2.761844 -1.203430
H -0.100617 -4.278827 0.151082
H 1.264284 -3.398802 0.932049
H -0.417685 -2.972852 1.363615
H 3.421971 -2.279871 1.150398
H 4.100851 -0.683247 1.607221
H 2.335174 -0.884380 1.408799
H 4.900733 -2.351190 -0.657084
H 4.727143 -1.235951 -2.045823
H 5.582935 -0.697989 -0.560753
H 4.722871 0.994810 -1.893824
H 3.822241 3.137347 -2.671304
H 1.495587 3.857954 -2.029948
H -1.495410 -3.857829 -2.030331
H -3.821977 -3.137150 -2.671928
H -4.722679 -0.994664 -1.894460
H -3.421952 2.279911 1.150095
H -4.100854 0.683277 1.606856
H -2.335173 0.884405 1.408487
H -4.900627 2.351342 -0.657326
H -4.726945 1.236322 -2.046221
H -5.582874 0.698140 -0.561307
Pd -0.000146 -0.000142 2.698532
76
53-Pd
C -3.566468 -1.157633 1.317703
C -2.269411 -0.762710 0.928112
N -1.189230 -1.479949 1.354976
C -1.337181 -2.564904 2.136730
C -2.593167 -3.003260 2.561655
C -3.724637 -2.280662 2.139040
C -1.838002 0.409760 0.097296
Si -2.794650 0.757947 -1.548672
C -2.764127 2.619137 -2.002621
Ge 0.021941 -0.553293 -0.325167
C 1.881273 0.236642 0.383133
Si 2.272497 0.444792 2.246580
C 1.520306 -0.998866 3.239430
C 1.820386 1.461128 -0.459547
C 2.672178 2.589300 -0.413010
C 2.529835 3.593412 -1.377099
C 1.558574 3.459499 -2.385444
C 0.739545 2.324640 -2.361221
N 0.851038 1.379495 -1.415933
Si 3.211411 -0.877847 -0.532660
C 2.936953 -0.846672 -2.417359
C 4.980410 -0.160776 -0.354541
C 3.141809 -2.633916 0.191017
Si -1.989755 1.900907 1.304256
C -1.550532 1.342142 3.076148
C -0.969635 3.427809 0.787205
C -3.825223 2.435453 1.463003
C -2.083492 -0.164652 -3.054767
C -4.643738 0.280790 -1.435115
C 4.132904 0.379720 2.696860
C 1.713240 2.158372 2.882782
H -4.428754 -0.583125 0.990111
H -4.724329 -2.590636 2.451241
H -2.683792 -3.882789 3.200247
H -0.416139 -3.079711 2.415341
H 1.627368 2.142279 3.983367
H 2.468159 2.920402 2.623574
H 0.752113 2.492210 2.476999
H 4.226365 0.623768 3.770871
H 4.566785 -0.621727 2.547397
H 4.749196 1.099817 2.135871
H 1.949287 -1.009913 4.256938
H 0.427602 -0.962796 3.328810
H 1.779788 -1.956686 2.757524
H -1.505209 2.213913 3.751796
H -2.333467 0.662949 3.453060
H -0.591706 0.816736 3.146943
H -3.900288 3.262632 2.191911
H -4.283053 2.776752 0.522718
H -4.437525 1.604466 1.852056
H -0.876627 4.114349 1.647325
H 0.046434 3.173390 0.454742
H -1.460414 3.981376 -0.027851
H -3.206509 2.732187 -3.008589
H -3.353827 3.241858 -1.312992
H -1.749758 3.041020 -2.036231
H -5.136497 0.545325 -2.387755
H -4.786324 -0.801084 -1.279419
H -5.170413 0.818537 -0.629420
H -2.612756 0.163906 -3.969405
H -1.003914 0.008760 -3.186406
H -2.204410 -1.256048 -2.947021
H 3.432712 2.658881 0.364564
H 3.178917 4.471692 -1.351707
H 1.434945 4.214588 -3.162459
H -0.038791 2.162768 -3.109226
H 5.582619 -0.537863 -1.200395
H 5.490791 -0.444965 0.575721
H 4.984906 0.940023 -0.423763
H 3.435409 -2.652297 1.255008
H 3.820790 -3.309441 -0.358315
H 2.114008 -3.030148 0.093681
H 1.909614 -1.120406 -2.707785
H 3.631885 -1.565399 -2.888007
H 3.165840 0.154197 -2.823533
Pd -0.060210 -2.461933 -1.587280
67
54-Pd
C 2.986650 -0.549602 1.007405
C 2.600239 0.498621 0.124915
C 3.082381 0.462659 -1.215675
C 3.767112 -0.674023 -1.689922
C 4.018010 -1.765439 -0.849747
C 3.665149 -1.682342 0.504467
Ge 1.230871 1.977139 0.643550
N -0.145242 0.699521 1.655764
Ge -0.861378 -0.286300 -0.003540
N -0.024382 1.341184 -0.950461
C 2.962064 1.665883 -2.162115
C 2.456833 1.303844 -3.578452
C 2.774784 -0.472157 2.520126
C 4.137688 -0.314161 3.237656
C -2.846100 0.122193 -0.002955
C -3.733362 -0.962540 -0.293260
C -5.120530 -0.725921 -0.374883
C -5.655751 0.546008 -0.155521
C -4.797685 1.605738 0.151653
C -3.403799 1.416302 0.229010
C -3.255036 -2.394597 -0.566882
C -3.338405 -2.706533 -2.077330
C -2.576142 2.656413 0.579440
C -2.924830 3.193462 1.986874
C -4.021021 -3.449013 0.262861
C -2.725574 3.768207 -0.484211
C 4.328948 2.386620 -2.253669
C 2.011196 -1.696059 3.079776
H -5.788342 -1.556119 -0.612741
H -6.734335 0.710202 -0.219493
H -5.211678 2.600444 0.333777
H 0.511388 0.981127 -1.743477
H -0.651173 2.070720 -1.305951
H -0.811678 1.245636 2.213281
H 0.261634 0.000554 2.279502
H 4.113289 -0.704194 -2.725064
H 4.530060 -2.651252 -1.232651
H 3.931820 -2.493744 1.185013
H 2.202010 0.440166 2.751724
H 3.990280 -0.220879 4.326787
H 4.774321 -1.193541 3.048787
H 4.669605 0.579338 2.874440
H 1.733592 -1.534718 4.135273
H 1.106680 -1.911326 2.481306
H 2.646093 -2.595549 3.034971
H 2.252695 2.395879 -1.737756
H 4.255754 3.276345 -2.901765
H 4.669171 2.702461 -1.255070
H 5.088511 1.708877 -2.676473
H 2.288926 2.221324 -4.166028
H 3.198868 0.693741 -4.116987
H 1.517943 0.725983 -3.553044
H -1.517496 2.395486 0.606535
H -2.073182 4.622569 -0.238983
H -2.457196 3.395431 -1.487442
H -3.764687 4.130081 -0.534749
H -2.277035 4.048844 2.241022
H -3.973527 3.527215 2.034565
H -2.791352 2.409409 2.751257
H -2.195128 -2.482553 -0.285379
H -3.562158 -4.439863 0.110943
H -3.983870 -3.208518 1.337624
H -5.079883 -3.521468 -0.036096
H -2.981719 -3.731436 -2.274874
H -4.377244 -2.621145 -2.439190
H -2.711701 -2.005397 -2.651939
Pd 0.613205 -1.995724 -0.279271
35
55-Pd
C -2.264220 -3.072344 1.360843
C -1.030142 -2.162350 1.486611
N -0.703786 -1.369697 0.240291
C -0.540774 -2.355795 -0.895167
C 0.112586 -1.853257 -2.185028
Ge 0.938270 -0.059054 0.514481
Cl 1.024191 -0.015057 2.778670
N -0.505459 1.441772 0.143888
C -0.078298 2.320824 -1.006401
C 0.222901 1.638087 -2.342904
Ge -2.215977 0.143217 0.155306
Cl -2.916443 -0.022033 -2.004825
C -0.713995 2.331318 1.349250
C -1.795905 3.412413 1.178514
H -0.140904 -2.758640 1.751861
H -1.190734 -1.447748 2.303989
H -2.499510 -3.484380 2.354604
H -3.143840 -2.507201 1.009537
H -2.095923 -3.912997 0.672745
H -1.545547 -2.734668 -1.135335
H 0.049797 -3.203290 -0.501728
H 0.077433 -2.678468 -2.915280
H -0.425984 -1.001617 -2.611017
H 1.166252 -1.575392 -2.028706
H -0.986062 1.684748 2.193609
H 0.254958 2.793231 1.604029
H -2.003351 3.859421 2.163380
H -1.485319 4.219505 0.499833
H -2.735039 2.977296 0.797614
H -0.871222 3.064972 -1.170752
H 0.823706 2.862946 -0.664948
H 0.566813 2.418769 -3.041181
H 1.024702 0.890678 -2.251682
H -0.670750 1.167193 -2.766855
Pd 2.910375 -0.103368 -0.591648
56
56-Pd
C -0.893187 1.715721 3.062845
C 0.123255 0.559102 3.033246
N 0.610919 0.337383 1.672137
Ge -0.098403 -0.158126 -0.139631
N -2.100383 0.657110 0.132448
C -3.437408 0.061491 0.159725
C -3.760164 -0.609083 -1.194020
C -0.470998 -0.746790 3.598189
C 1.904015 0.234357 1.318853
N 2.009532 0.145429 -0.003968
C 3.091901 -0.477390 -0.769533
C 4.334376 0.427947 -0.911338
C 3.030287 0.210516 2.330376
N -0.456597 1.626697 -0.954330
C -1.765366 1.673165 -0.654839
C -2.706465 2.731971 -1.187763
C 3.433086 -1.898163 -0.271696
C 0.329834 2.709095 -1.543814
C 1.183727 3.412449 -0.468024
C 1.199647 2.155856 -2.686874
C -3.488055 -0.971367 1.295750
H 0.982269 0.848746 3.663411
H -1.235332 1.893238 4.095900
H -0.431637 2.638860 2.677298
H -1.757059 1.472679 2.429157
H -0.858646 -0.588405 4.618665
H -1.292470 -1.092118 2.955512
H 0.296001 -1.537123 3.626511
H 3.990021 -0.005527 1.851636
H 3.104176 1.187556 2.836577
H 2.834616 -0.549085 3.104140
H 2.660352 -0.602003 -1.777775
H 5.036649 -0.013512 -1.637937
H 4.042678 1.427912 -1.268572
H 4.870515 0.547167 0.043428
H 4.141392 -2.384269 -0.963657
H 3.889693 -1.882003 0.731137
H 2.502225 -2.489671 -0.233101
H -2.740012 2.700017 -2.288945
H -3.721530 2.586465 -0.796887
H -2.356557 3.735003 -0.895409
H -4.192663 0.846964 0.362695
H -4.471005 -1.468502 1.319651
H -2.707619 -1.732059 1.123048
H -3.311031 -0.492525 2.270807
H -4.751973 -1.091785 -1.167282
H -3.751051 0.132103 -2.010142
H -2.984952 -1.366852 -1.404777
H -0.370104 3.447340 -1.973625
H 1.741129 4.255534 -0.910050
H 0.543623 3.797486 0.342147
H 1.897985 2.693276 -0.042411
H 1.796375 2.965076 -3.139187
H 1.882887 1.390326 -2.295811
H 0.569612 1.697718 -3.464911
Pd -0.343367 -2.269730 -0.954425
66
57-Pd
C 2.806672 -0.587013 0.070719
Si 4.449289 -1.409729 0.318149
C 4.472913 -3.191428 -0.389555
P 1.536883 -0.452090 1.246800
C 0.984335 -2.072444 1.994158
P 2.201129 0.202036 -1.408878
Ge -0.055390 0.853992 0.036030
P -2.179776 0.123805 1.408804
C -3.251856 1.619579 1.722552
C 1.937029 0.536399 2.774148
C 3.145303 1.778802 -1.756745
C 2.728642 -0.840130 -2.882188
C 5.845910 -0.435938 -0.556552
C 4.878067 -1.540547 2.182192
P -1.458185 -0.657702 -1.162904
C -1.944383 0.161732 -2.761759
C -2.736766 -0.819860 0.013667
Si -4.440829 -1.461729 -0.345187
C -4.348872 -2.895490 -1.612418
C -0.727941 -2.259896 -1.774055
C -5.287518 -2.084128 1.252134
C -5.568104 -0.110586 -1.103230
C -2.442780 -0.829733 3.002979
H -2.732342 -0.417674 -3.270463
H -2.320285 1.169471 -2.531281
H -1.068624 0.245063 -3.426095
H 0.023719 -2.058167 -2.552231
H -0.246579 -2.786393 -0.937617
H -1.524791 -2.897547 -2.189234
H 3.825432 -0.953804 -2.913570
H 2.276742 -1.840644 -2.805011
H 2.400262 -0.364880 -3.821794
H 4.235377 1.630576 -1.694676
H 2.885778 2.163582 -2.758206
H 2.824010 2.520508 -1.006826
H 2.765991 0.071028 3.329564
H 2.227177 1.549600 2.458748
H 1.050493 0.602224 3.426755
H 1.868810 -2.623923 2.353610
H 0.298561 -1.902774 2.838108
H 0.475498 -2.676703 1.229166
H -1.995690 -0.280312 3.848794
H -3.515871 -0.976566 3.205459
H -1.964773 -1.816422 2.917344
H -2.956172 2.105511 2.667784
H -3.082993 2.329305 0.897171
H -4.320668 1.351206 1.773838
H 6.821221 -0.937867 -0.426830
H 5.662711 -0.349452 -1.641537
H 5.934570 0.587525 -0.154398
H 5.831753 -2.079017 2.324141
H 4.984478 -0.545577 2.646988
H 4.107465 -2.093435 2.748044
H -6.588820 -0.484199 -1.303272
H -5.653849 0.758144 -0.427647
H -5.153059 0.259293 -2.057092
H -6.285659 -2.501666 1.031029
H -4.692995 -2.868994 1.749067
H -5.430173 -1.263634 1.976818
H -3.893499 -2.565724 -2.563302
H -3.749148 -3.739192 -1.230352
H -5.356610 -3.278202 -1.852165
H 3.697198 -3.817806 0.085574
H 4.274617 -3.192599 -1.475377
H 5.448802 -3.683837 -0.226482
Pd -0.090841 3.124130 -0.072404
58
58-Pd
C -2.779504 -0.856122 0.120511
P -2.330740 0.328616 1.356721
C -3.454632 1.811502 1.364929
P -4.419183 -1.635203 0.073312
C -5.198026 -0.959985 -1.514625
P -1.413415 -0.890360 -0.984019
Ge -0.213008 0.871667 0.091443
P 2.230711 -0.164607 -1.351841
C 2.972940 -1.373365 -2.589451
C -4.043080 -3.375956 -0.553978
C -0.576489 -2.542607 -1.171397
C -1.760285 -0.433078 -2.751147
C -2.601673 -0.352778 3.072652
P 1.406866 -0.268806 1.420706
C 0.813510 -1.629321 2.549221
C 1.964137 1.012403 2.654833
C 2.626927 -0.784671 0.288628
P 4.096236 -1.570415 1.018004
C 4.228006 -3.231833 0.122036
C 3.283053 1.348701 -1.721135
C 5.555997 -0.707795 0.187323
H 2.845028 0.630710 3.196453
H 2.233939 1.925005 2.102117
H 1.160720 1.248008 3.372647
H 0.240412 -1.220549 3.395519
H 0.185703 -2.338197 1.989659
H 1.703222 -2.156519 2.932031
H -3.666438 -0.613080 3.192055
H -1.997865 -1.261153 3.206411
H -2.323623 0.392918 3.835605
H -4.509395 1.493300 1.419520
H -3.225698 2.464998 2.223290
H -3.280744 2.375659 0.435640
H -2.357626 -1.211663 -3.252210
H -2.308299 0.519693 -2.768981
H -0.800633 -0.311163 -3.279009
H -1.292349 -3.292352 -1.543198
H 0.262838 -2.448663 -1.876232
H -0.183202 -2.865943 -0.197856
H 2.767902 -1.015762 -3.612540
H 4.063684 -1.471969 -2.469284
H 2.517354 -2.367600 -2.461363
H 3.141296 1.651186 -2.773697
H 2.911547 2.164849 -1.078382
H 4.355856 1.185493 -1.531407
H -6.180065 -1.435860 -1.680355
H -5.353955 0.125013 -1.404255
H -4.566416 -1.135407 -2.401830
H -4.985823 -3.936940 -0.666447
H -3.530053 -3.365996 -1.531352
H -3.407942 -3.901949 0.175749
H 6.494546 -1.202313 0.490509
H 5.487473 -0.731880 -0.912480
H 5.593669 0.343294 0.513741
H 5.121894 -3.771816 0.479928
H 3.339166 -3.836613 0.363267
H 4.293254 -3.123616 -0.971671
Pd 0.050532 3.044883 -0.503943
96
59-Pd
C -1.627278 -2.292731 -2.474970
C -2.133113 -1.811493 -1.258996
C -1.879439 -2.547971 -0.051811
C -1.120890 -3.758552 -0.122219
C -0.653518 -4.235348 -1.376666
C -0.913493 -3.511882 -2.540556
P -2.955285 -0.150377 -1.294755
C -4.754629 -0.571305 -1.419760
C -5.179764 -1.733755 -2.096787
C -6.547574 -1.980438 -2.293865
C -7.506630 -1.074055 -1.815115
C -7.090142 0.083946 -1.136903
C -5.725702 0.338031 -0.943406
Ge -0.079865 0.398690 0.870996
N -1.695552 1.359986 0.450139
N -2.794481 0.476011 0.347296
C -3.492474 0.176792 1.550502
C -4.357711 -0.938822 1.652475
C -5.026619 -1.211554 2.853276
C -4.854999 -0.391749 3.978721
C -3.996538 0.714458 3.880942
C -3.322724 1.004326 2.687458
N 1.232429 1.271781 -0.215665
C 1.227915 2.312970 -1.174078
C 2.324360 3.194179 -1.323880
C 2.264264 4.237322 -2.258190
C 1.119213 4.424327 -3.049600
C 0.039299 3.535661 -2.914399
C 0.095159 2.478848 -2.000120
N 2.504249 0.693754 0.070824
C 3.207233 1.170061 1.206921
C 4.314414 0.471698 1.745763
C 4.979991 0.963249 2.875950
C 4.569618 2.150536 3.502515
C 3.474951 2.847939 2.969040
C 2.800898 2.372436 1.837089
P 2.882178 -0.588977 -1.074704
C 2.668757 -2.165729 -0.101984
C 2.752218 -3.374454 -0.840885
C 2.680297 -4.618341 -0.201083
C 2.463551 -4.687290 1.188092
C 2.348130 -3.508374 1.937771
C 2.454852 -2.238376 1.309669
C 4.729685 -0.451094 -1.222363
C 5.244656 0.788069 -1.662336
C 6.622398 0.955826 -1.855833
C 7.503885 -0.115494 -1.632058
C 6.996976 -1.355661 -1.213652
C 5.618296 -1.524332 -1.007348
C -1.932541 2.740546 0.295648
C -0.983944 3.650625 0.816649
C -1.117344 5.024003 0.594795
C -2.216427 5.527160 -0.121766
C -3.182093 4.630327 -0.605334
C -3.048737 3.249792 -0.403219
H -0.142640 3.268689 1.396894
H -0.362450 5.705091 0.993763
H -2.323448 6.600388 -0.289614
H -4.048739 5.004120 -1.156096
H -3.793201 2.566225 -0.806050
H -4.512982 -1.593762 0.799746
H -5.685515 -2.081638 2.900854
H -5.376329 -0.611503 4.912221
H -3.844391 1.369061 4.742303
H -2.668656 1.871541 2.633869
H -4.440367 -2.451459 -2.457858
H -6.862191 -2.887598 -2.815141
H -8.570600 -1.270309 -1.963870
H -7.829425 0.787418 -0.747541
H -5.415385 1.222362 -0.385540
H -2.443157 -2.314491 0.851182
H -1.054815 -4.403394 0.757542
H -0.089494 -5.167828 -1.417570
H -0.548386 -3.871789 -3.504751
H -1.776355 -1.711734 -3.389468
H 3.205302 3.068601 -0.696069
H 3.116557 4.914062 -2.357158
H 1.073239 5.244608 -3.768777
H -0.853356 3.656400 -3.531800
H -0.732464 1.776231 -1.918661
H 4.653746 -0.453186 1.289298
H 5.829296 0.399868 3.269535
H 5.091560 2.523379 4.385562
H 3.136542 3.778260 3.431349
H 1.972671 2.938884 1.418164
H 2.883866 -3.330861 -1.925173
H 2.773502 -5.535620 -0.786674
H 2.390756 -5.657717 1.683629
H 2.201341 -3.552094 3.018616
H 2.546274 -1.343895 1.922970
H 5.237433 -2.488153 -0.664485
H 7.675464 -2.193811 -1.037374
H 8.577316 0.015571 -1.785078
H 7.008282 1.923905 -2.183399
H 4.564365 1.623213 -1.845074
Pd 0.203097 -1.940902 0.642240
86
60-Pd
C 2.190431 3.829203 -0.505535
N 1.022312 3.066175 -0.417942
C 1.273390 1.748638 -0.683978
N 2.616409 1.694346 -0.944335
C 3.199997 2.959851 -0.836490
Ge 0.078575 0.114115 -0.827456
Si 1.013707 -1.362740 0.900607
Si 2.369076 -0.282161 2.492514
C 4.182107 0.011182 1.920161
C 3.281600 0.481620 -1.418999
C -0.308513 3.622152 -0.204572
C 4.662315 3.204192 -1.039363
C 2.211056 5.302002 -0.241630
Si -2.058345 0.105743 0.417826
Si -3.112398 1.784574 1.685411
C -4.540764 0.974092 2.675464
Si -1.173949 -1.615253 1.804377
C -1.306748 -1.232085 3.685168
Si -3.564982 -0.576717 -1.260370
C -5.369714 -0.699616 -0.617289
Si 1.925950 -3.328994 0.005213
C 2.094347 -4.676974 1.359763
C -1.938040 -3.353506 1.516345
C -3.480841 0.733428 -2.650788
C -3.037934 -2.258832 -1.993069
C -1.960582 2.627757 2.968009
C -3.883984 3.130925 0.554080
C 0.778131 -3.946351 -1.391835
C 3.655111 -3.028417 -0.773425
C 1.654317 1.447757 2.907587
C 2.435210 -1.317387 4.105925
H -3.012225 -3.363121 1.772403
H -1.838674 -3.657629 0.463292
H -1.432661 -4.113704 2.138438
H -2.361315 -1.153448 4.002489
H -0.836614 -2.036217 4.277508
H -0.803640 -0.286908 3.943805
H -6.046381 -1.042704 -1.420781
H -5.456923 -1.412220 0.221124
H -5.739799 0.278197 -0.264218
H -4.127984 0.454993 -3.502094
H -3.788427 1.734297 -2.300884
H -2.437964 0.795323 -3.016858
H -3.635943 -2.497461 -2.891272
H -1.974402 -2.206889 -2.292807
H -3.158804 -3.085054 -1.273015
H -4.393723 3.903738 1.157745
H -3.138592 3.639553 -0.079648
H -4.634117 2.684830 -0.120871
H -5.075981 1.729595 3.279029
H -5.272325 0.489532 2.009270
H -4.151905 0.205683 3.364391
H -2.487918 3.458379 3.471368
H -1.660746 1.905328 3.745488
H -1.037300 3.030592 2.523304
H 2.488885 -5.618326 0.936428
H 2.777402 -4.358767 2.166790
H 1.116158 -4.899647 1.819481
H 4.091048 -3.984740 -1.114272
H 3.573831 -2.369893 -1.654588
H 4.367280 -2.569700 -0.066279
H 1.236585 -4.785400 -1.946253
H -0.197786 -4.286218 -1.006919
H 0.587493 -3.117503 -2.101782
H 4.793306 0.338070 2.780767
H 4.651276 -0.895358 1.502899
H 4.236154 0.803961 1.156148
H 3.096648 -0.843189 4.853773
H 1.432850 -1.416094 4.553982
H 2.817088 -2.335297 3.915907
H 2.237421 1.929617 3.713347
H 1.683285 2.107991 2.025066
H 0.606552 1.387012 3.240117
H 4.308511 0.726678 -1.715236
H 3.294139 -0.273664 -0.624736
H 2.698490 0.082577 -2.272792
H 5.271586 2.584397 -0.359529
H 4.978040 2.976384 -2.072042
H 4.895695 4.259621 -0.839962
H 3.232345 5.690069 -0.360793
H 1.554746 5.851124 -0.938763
H 1.875072 5.536500 0.783589
H -0.308564 4.273349 0.680537
H -0.623880 4.199849 -1.088013
H -1.000761 2.788964 -0.048117
Pd 0.095997 -0.515489 -3.038320
34
61-Pd
C -3.336958 -1.744045 -1.268966
C -2.770472 -1.063728 -0.000005
C -3.337025 -1.743807 1.269055
C -3.185702 0.419902 -0.000148
N -1.285440 -1.171514 0.000053
Ge 0.000068 0.205960 -0.000221
N 1.286041 -1.171044 0.000010
C 0.684185 -2.422236 0.000213
C -0.683111 -2.422489 0.000230
C 2.771034 -1.062649 -0.000002
C 3.185653 0.421115 -0.000387
C 3.337797 -1.742351 1.269197
C 3.337868 -1.743017 -1.268812
H -1.292246 -3.324053 0.000342
H -4.435554 -1.657704 1.279994
H -3.074406 -2.812363 1.300049
H -2.932161 -1.257559 2.170032
H -4.435488 -1.657950 -1.279985
H -2.932045 -1.257968 -2.170013
H -3.074331 -2.812606 -1.299740
H -4.284913 0.486810 -0.000192
H -2.796980 0.938343 0.890251
H -2.796923 0.938192 -0.890610
H 4.284840 0.488442 -0.000338
H 2.796794 0.939126 -0.890981
H 2.796678 0.939628 0.889865
H 4.436352 -1.656375 -1.279788
H 3.075765 -2.811713 -1.299330
H 2.932771 -1.257353 -2.169998
H 4.436290 -1.655812 1.280136
H 2.932738 -1.256133 2.170103
H 3.075574 -2.810999 1.300315
H 1.293717 -3.323529 0.000326
Pd -0.000706 2.461926 0.000085
66
62-Pd
C 3.365556 -0.847005 0.560151
C 2.690178 0.396283 0.472869
C 3.381549 1.603440 0.199165
C 4.773446 1.540379 0.005598
C 5.462012 0.323612 0.094838
C 4.760473 -0.855522 0.374147
N 1.266039 0.421521 0.616038
C 0.692744 0.635505 1.839345
C -0.692547 0.635577 1.839304
N -1.265808 0.421635 0.615964
Ge 0.000187 0.277619 -0.853129
C 2.643737 2.934460 0.063865
C 2.513800 3.322678 -1.427820
C 2.634555 -2.152570 0.860297
C 3.060605 -2.719721 2.233629
C -2.689949 0.396562 0.472864
C -3.365507 -0.846599 0.560673
C -4.760419 -0.854999 0.374666
C -5.461789 0.324114 0.094813
C -4.773052 1.540741 0.005072
C -3.381148 1.603695 0.198658
C -2.634656 -2.152121 0.861401
C -2.856740 -3.194434 -0.257057
C -2.643230 2.934623 0.062932
C -3.317573 4.068358 0.867186
C -3.060450 -2.718409 2.235158
C -2.513917 3.322791 -1.428812
C 3.318564 4.068166 0.867751
C 2.856182 -3.194220 -0.258860
H -1.315823 0.815702 2.715720
H 1.316000 0.815592 2.715783
H -5.297508 -1.803517 0.444499
H -6.543387 0.295262 -0.055741
H -5.320910 2.457991 -0.219418
H -1.555018 -1.943076 0.895024
H -2.269927 -4.104562 -0.048016
H -3.918264 -3.482342 -0.337657
H -2.542558 -2.782471 -1.234189
H -2.510152 -3.649036 2.453755
H -2.855840 -1.993696 3.039530
H -4.139494 -2.946053 2.247470
H -1.626060 2.806914 0.460890
H -1.967792 4.275790 -1.531770
H -1.968685 2.545533 -1.988167
H -3.511390 3.441231 -1.883911
H -2.711167 4.986444 0.799134
H -4.320361 4.300051 0.472627
H -3.422773 3.794343 1.929160
H 5.321459 2.457635 -0.218470
H 6.543612 0.294686 -0.055688
H 5.297418 -1.804148 0.443588
H 1.554959 -1.943388 0.894300
H 2.269257 -4.104378 -0.050247
H 2.541785 -2.781558 -1.235626
H 3.917635 -3.482264 -0.339923
H 2.510229 -3.650396 2.451829
H 4.139621 -2.947518 2.245536
H 2.856299 -1.995439 3.038467
H 1.626744 2.806855 0.462315
H 1.967704 4.275722 -1.530524
H 3.511108 3.441054 -1.883302
H 1.968284 2.545497 -1.987008
H 2.712041 4.986206 0.800143
H 3.424509 3.794118 1.929641
H 4.321056 4.299979 0.472510
Pd -0.000538 -1.945673 -1.484068
36
63-Pd
C -3.083452 -0.791590 -1.496124
C -2.760150 -0.938256 0.011641
C -3.568385 -2.118312 0.602373
C -3.173685 0.351404 0.753347
N -1.302868 -1.162785 0.210640
Ge 0.000120 0.144833 -0.000013
N 1.303511 -1.162274 -0.210995
C 0.751629 -2.473786 0.165296
C -0.750660 -2.473846 -0.166659
C 2.760563 -0.937362 -0.011301
C 3.174036 0.353013 -0.751895
C 3.083328 -0.791544 1.496728
C 3.569482 -2.116715 -0.602510
H -0.891293 -2.674756 -1.248578
H 0.892348 -2.675395 1.247060
H -4.642288 -1.877667 0.567174
H -3.411416 -3.046845 0.031600
H -3.279799 -2.293344 1.651063
H -4.167737 -0.665610 -1.652767
H -2.562095 0.089546 -1.904065
H -2.757810 -1.683815 -2.054761
H -4.255494 0.518525 0.627253
H -2.946976 0.262414 1.827566
H -2.633981 1.227891 0.357713
H 4.255643 0.520617 -0.624759
H 2.948221 0.264609 -1.826341
H 2.633570 1.228990 -0.356163
H 4.643283 -1.875732 -0.566646
H 3.412475 -3.045663 -0.032430
H 3.281432 -2.291138 -1.651451
H 4.167503 -0.665229 1.653831
H 2.561440 0.089107 1.905039
H 2.757885 -1.684273 2.054669
H 1.242962 -3.286559 -0.393559
H -1.241712 -3.287237 0.391546
Pd -0.000668 2.393789 -0.000119
42
64-Pd
C -3.961284 -0.489432 -0.819080
C -2.894664 0.032909 0.174010
C -2.893210 1.574135 0.119012
N -1.548594 -0.480333 -0.167666
C -1.355483 -1.926991 -0.409850
C -1.398382 -2.257591 -1.917558
Ge 0.075132 0.396400 -0.088272
N 0.950368 -1.235348 -0.127279
C 2.426367 -1.390930 -0.028574
C 2.947938 -0.875199 1.338403
C 0.020707 -2.335510 0.192725
C -0.083553 -2.619967 1.705524
C -3.269182 -0.416750 1.609623
C 2.849370 -2.863614 -0.219905
C 3.075874 -0.548983 -1.153432
H -4.277960 -0.059877 1.876313
H -3.260768 -1.514877 1.696046
H -2.544198 -0.005007 2.329335
H -4.949356 -0.089953 -0.540352
H -3.724359 -0.163517 -1.843441
H -4.021501 -1.588298 -0.803867
H -3.900082 1.949562 0.361709
H -2.176779 1.999121 0.840111
H -2.611634 1.924725 -0.886112
H 4.173798 -0.641639 -1.111054
H 2.721982 -0.894148 -2.137850
H 2.808663 0.515223 -1.038595
H 3.948322 -2.924672 -0.201377
H 2.457119 -3.508285 0.581387
H 2.495519 -3.250066 -1.189085
H 4.046359 -0.964930 1.393051
H 2.673611 0.185799 1.458753
H 2.508260 -1.445889 2.170133
H 0.343362 -3.255919 -0.320213
H -0.788389 -3.448557 1.893242
H 0.894422 -2.895957 2.125543
H -0.446838 -1.720483 2.227100
H -2.329919 -1.903463 -2.377963
H -0.548431 -1.766183 -2.416478
H -1.316688 -3.347408 -2.073694
H -2.142461 -2.495760 0.112671
Pd 0.847051 2.507455 -0.016987
42
65-Pd
C 3.290488 0.599244 0.044108
C 2.338217 1.801037 -0.115236
C 2.609619 2.797950 1.040242
N 0.932297 1.345700 -0.054613
C -0.124047 2.305392 -0.374780
C -1.482150 1.789909 0.179735
C -1.521797 2.078405 1.705420
Ge 0.246305 -0.365661 -0.033952
N -1.489004 0.315338 -0.089165
C -2.729456 -0.509926 -0.157544
C -3.475048 -0.282624 -1.502185
C -2.578371 2.609488 -0.533844
C 2.624356 2.487822 -1.474125
C -2.365873 -2.014188 -0.102974
C -3.696905 -0.245995 1.023733
H 3.679255 2.801980 -1.523773
H 2.422533 1.787621 -2.300511
H 1.994480 3.381167 -1.608943
H 4.332425 0.956898 0.038075
H 3.100597 0.070470 0.991613
H 3.154768 -0.124589 -0.774879
H 3.657575 3.138096 1.006684
H 1.964166 3.687457 0.967600
H 2.425021 2.308383 2.009035
H -3.294817 -2.603283 -0.162323
H -1.715443 -2.304319 -0.943037
H -1.842792 -2.267479 0.832079
H -4.568878 -0.913249 0.928574
H -3.197382 -0.457785 1.981480
H -4.066943 0.787567 1.041630
H -4.293461 -1.015754 -1.598933
H -3.914822 0.719347 -1.575222
H -2.775193 -0.423975 -2.340357
H 0.082834 3.291569 0.073167
H -0.208140 2.449604 -1.471113
H -2.386777 3.679278 -0.348110
H -2.550033 2.436774 -1.619368
H -3.586825 2.384439 -0.162956
H -2.439354 1.697234 2.169508
H -0.654775 1.604633 2.190673
H -1.469807 3.166418 1.882271
Pd 1.192017 -2.405732 0.087277
48
66-Pd
C 2.434089 2.345016 0.421323
C 0.944295 2.660783 0.663874
C 0.785352 3.221144 2.099616
N 0.134399 1.431419 0.511762
C -1.278123 1.477487 0.921055
C -2.043102 0.281835 0.283234
C -2.708847 0.643580 -1.101156
C -3.359182 -0.610152 -1.722465
Ge 0.638025 -0.263516 -0.003799
N -1.123872 -0.880183 0.189468
C -1.411770 -2.082322 1.029729
C -0.401612 -3.199581 0.684057
C 0.499796 3.734696 -0.361913
C -1.281825 -1.724219 2.533451
C -2.828410 -2.647439 0.768846
C -3.825713 1.688856 -0.864421
C -1.690972 1.208734 -2.113643
H 1.086453 4.657106 -0.220106
H 0.661327 3.367154 -1.386725
H -0.565014 3.990123 -0.244151
H 3.023213 3.270145 0.525426
H 2.800888 1.603101 1.147740
H 2.592390 1.933980 -0.588481
H 1.424803 4.109388 2.224940
H -0.255599 3.517163 2.302120
H 1.084901 2.460756 2.838311
H -1.497183 -2.598860 3.170224
H -0.257474 -1.375743 2.746664
H -1.985554 -0.920593 2.804601
H -2.983511 -3.526849 1.414262
H -3.617886 -1.917894 1.001718
H -2.937727 -2.955675 -0.279752
H -0.661173 -4.112364 1.243787
H -0.431220 -3.417605 -0.394582
H 0.630640 -2.915997 0.945463
H -1.359110 1.426914 2.023758
H -1.732364 2.429510 0.608875
H -2.871713 0.030696 0.964285
H -3.808754 -0.349897 -2.695135
H -2.605773 -1.394761 -1.879269
H -4.154031 -1.010977 -1.074252
H -2.206778 1.450667 -3.058186
H -1.204912 2.118276 -1.737020
H -0.907738 0.466703 -2.341590
H -4.373042 1.867336 -1.804395
H -4.548716 1.326875 -0.113023
H -3.430348 2.658840 -0.523657
Pd 2.578189 -1.165308 -0.692574
40
67-Pd
C -1.915334 -0.717371 0.000000
C -1.915135 0.717326 0.000000
C -3.145685 1.408134 0.000000
C -4.355916 0.702992 0.000000
C -4.356140 -0.702539 0.000000
C -3.146080 -1.407948 0.000000
N -0.642725 1.312329 0.000000
Si -0.322460 3.078566 0.000000
C -1.070791 3.849761 1.567844
N -0.643186 -1.312827 0.000000
Si -0.322698 -3.079000 0.000000
C -1.070791 -3.849521 -1.568269
Ge 0.697229 -0.000488 0.000000
C 1.559353 -3.314414 0.000000
C -1.070791 -3.849521 1.568269
C 1.559534 3.314992 0.000000
C -1.070791 3.849761 -1.567844
H -3.158375 2.497838 0.000000
H -5.298819 1.253581 0.000000
H -5.299249 -1.252769 0.000000
H -3.158803 -2.497642 0.000000
H -0.929331 -4.944629 -1.573807
H -2.149752 -3.646841 -1.659182
H -0.580251 -3.442679 -2.468830
H 1.802944 -4.392007 0.000000
H 2.027632 -2.853304 -0.885497
H 2.027632 -2.853304 0.885497
H -0.929331 -4.944629 1.573807
H -0.580251 -3.442679 2.468830
H -2.149752 -3.646841 1.659182
H 1.801952 4.392789 0.000000
H 2.027845 2.854008 0.885552
H 2.027845 2.854008 -0.885552
H -0.925407 4.944371 -1.574300
H -0.583379 3.440591 -2.469023
H -2.150680 3.651068 -1.656632
H -0.925407 4.944371 1.574300
H -2.150680 3.651068 1.656632
H -0.583379 3.440591 2.469023
Pd 2.946754 0.000180 0.000000
45
68-Pd
C 1.135849 3.198438 0.531741
C 0.588903 1.933935 0.267198
C -0.747224 1.887692 -0.267948
N -1.475172 2.974542 -0.557090
C -0.916225 4.174860 -0.304334
C 0.365509 4.336961 0.242640
N 1.165703 0.688342 0.468583
Ge 0.014114 -0.712077 -0.006108
N -1.228724 0.600564 -0.475347
C -2.584723 0.361719 -0.989490
C -3.675237 0.141767 0.098804
C -3.723496 1.328824 1.081864
C 2.523770 0.512481 0.990309
C 3.650744 0.420412 -0.080992
C 3.730605 1.708243 -0.924687
C 4.975762 0.220858 0.688427
C 3.413646 -0.788928 -1.008475
C -5.022479 0.030008 -0.649589
C -3.417828 -1.165107 0.876166
H -2.863928 1.224655 -1.611516
H 2.750244 1.333603 1.691386
H 2.533381 -0.424932 1.570726
H -2.547223 -0.535484 -1.628996
H -1.528626 5.046726 -0.552249
H 0.761675 5.335932 0.432670
H 2.142015 3.293560 0.938462
H -4.239398 -1.350328 1.588232
H -3.346962 -2.027634 0.191885
H -2.479673 -1.112884 1.452013
H -5.842917 -0.148919 0.064321
H -5.241181 0.959217 -1.201802
H -5.006209 -0.806075 -1.369751
H -4.540065 1.181715 1.808830
H -2.777018 1.411201 1.638565
H -3.881590 2.276036 0.545879
H 4.273032 -0.918275 -1.686980
H 3.281738 -1.716670 -0.426330
H 2.511601 -0.648714 -1.624468
H 4.517042 1.608268 -1.690990
H 2.775005 1.907701 -1.431913
H 3.976335 2.579612 -0.296062
H 5.819849 0.151460 -0.016679
H 5.166786 1.066777 1.370670
H 4.949514 -0.706598 1.285107
Pd 0.160148 -2.953274 -0.004530
80
69-Pd
C -2.421529 2.676012 -1.123257
C -1.186241 2.114035 -0.816775
C -0.000039 2.817911 -1.199099
C -0.000058 4.053717 -1.872266
C -1.285215 4.611103 -2.174892
C -2.445697 3.933002 -1.806543
C 1.186184 2.114038 -0.816841
C 0.708361 0.894198 -0.163981
C -0.708380 0.894188 -0.163966
C 1.285083 4.611101 -2.174964
C 2.445587 3.933001 -1.806681
C 2.421456 2.676013 -1.123386
N 1.297366 -0.174842 0.413307
Ge 0.000015 -1.448111 1.220709
N -1.297347 -0.174865 0.413346
C -2.725921 -0.258525 0.443893
C -3.425538 0.256967 1.562335
C -4.829688 0.168657 1.562057
C -5.518621 -0.406137 0.486642
C -4.805262 -0.901114 -0.612814
C -3.400526 -0.838338 -0.659653
C -2.706637 0.939146 2.724059
C -3.065913 2.442943 2.777278
C -2.661971 -1.356503 -1.890520
C -2.912707 -2.866925 -2.096839
C 2.725939 -0.258429 0.443946
C 3.425458 0.257113 1.562424
C 4.829618 0.168880 1.562240
C 5.518647 -0.405913 0.486891
C 4.805383 -0.900967 -0.612596
C 3.400651 -0.838260 -0.659534
C 2.706434 0.939278 2.724082
C 3.018232 0.246780 4.069374
C 2.662192 -1.356505 -1.890420
C 3.050558 -0.550222 -3.150670
C 2.912954 -2.866944 -2.096617
C 3.065567 2.443115 2.777256
C -3.018444 0.246501 4.069272
C -3.050253 -0.550112 -3.150732
H -5.384456 0.564023 2.415584
H -6.609242 -0.465554 0.503517
H -5.342024 -1.342990 -1.455017
H -1.622662 0.861225 2.556722
H -2.471284 0.744614 4.886668
H -4.095322 0.295495 4.300070
H -2.720454 -0.813690 4.042224
H -2.520677 2.935554 3.599565
H -2.802793 2.943138 1.832099
H -4.146301 2.579258 2.951750
H -1.581028 -1.229906 -1.727987
H -2.339955 -3.230577 -2.966372
H -2.598955 -3.434103 -1.201177
H -3.980625 -3.076348 -2.276506
H -2.488990 -0.919560 -4.025238
H -4.126887 -0.652774 -3.366418
H -2.825338 0.519399 -3.015562
H 5.342226 -1.342855 -1.454741
H 6.609270 -0.465277 0.503832
H 5.384304 0.564303 2.415794
H 1.622476 0.861239 2.556676
H 2.470900 0.744863 4.886673
H 2.720444 -0.813470 4.042390
H 4.095076 0.295994 4.300285
H 2.520216 2.935713 3.599475
H 4.145928 2.579515 2.951824
H 2.802495 2.943250 1.832034
H 1.581236 -1.229912 -1.727963
H 2.340295 -3.230643 -2.966191
H 3.980893 -3.076369 -2.276154
H 2.599104 -3.434065 -1.200958
H 2.489340 -0.919738 -4.025177
H 2.825657 0.519308 -3.015619
H 4.127204 -0.652920 -3.366287
H 3.354532 2.179004 -0.855905
H 3.415925 4.372911 -2.046616
H 1.351648 5.569700 -2.695204
H -1.351809 5.569702 -2.695130
H -3.416048 4.372912 -2.046427
H -3.354592 2.179005 -0.855728
Pd 0.000037 -3.098015 -0.410789
25
70-Pd
C 0.328240 2.711220 0.041957
N 0.572679 1.270895 0.027343
Ge -0.897852 0.000012 0.323879
Cl -0.861748 -0.000631 2.599008
C 1.801979 0.743476 -0.120760
C 1.801945 -0.743390 -0.121023
N 0.572657 -1.270783 0.026899
C 0.328000 -2.711067 0.041391
C 2.948556 1.567953 -0.271740
C 4.294297 1.249319 -0.472415
C 4.920120 0.000010 -0.569416
C 4.294202 -1.249319 -0.472916
C 2.948463 -1.567926 -0.272367
H 2.746134 2.637916 -0.226235
H 4.954420 2.117049 -0.561130
H 6.000650 -0.000009 -0.726744
H 4.954280 -2.117045 -0.562015
H 2.745898 -2.637883 -0.227339
H -0.756913 -2.875722 0.106986
H 0.701038 -3.185481 -0.882927
H 0.816165 -3.189076 0.908615
H -0.756646 2.876038 0.107605
H 0.816496 3.189109 0.909194
H 0.701334 3.185611 -0.882349
Pd -2.816392 0.000161 -0.860585
37
71-Pd
C 0.937925 3.141971 0.888700
C -0.355764 2.738359 0.160248
C -0.276542 3.091697 -1.338835
N -0.630880 1.285547 0.297007
Ge 0.847075 0.000153 0.427444
Cl 1.116529 0.000370 2.684591
C -1.853079 0.745371 0.101741
C -1.852993 -0.745477 0.101954
N -0.630666 -1.285433 0.297190
C -0.355390 -2.738244 0.160578
C -0.276588 -3.091808 -1.338472
C -3.000022 -1.556706 -0.130829
C -4.345154 -1.243993 -0.340367
C -4.980081 -0.000317 -0.427766
C -4.345242 1.243473 -0.341058
C -3.000172 1.556403 -0.131572
C 0.938650 -3.141519 0.888602
H -2.805460 -2.626361 -0.148249
H -4.992838 -2.116963 -0.464030
H -6.058159 -0.000400 -0.600324
H -4.992996 2.116312 -0.465278
H -2.805668 2.626059 -0.149570
H -1.177785 3.293184 0.641381
H -1.177164 -3.293097 0.642101
H 1.044194 4.236623 0.830271
H 0.913007 2.836883 1.943783
H 1.818313 2.683298 0.408343
H -0.092722 4.170636 -1.468768
H 0.556764 2.526257 -1.788106
H -1.206556 2.822213 -1.862832
H 1.045100 -4.236162 0.830343
H 1.818734 -2.682739 0.407778
H 0.914109 -2.836250 1.943645
H -0.092589 -4.170730 -1.468311
H -1.206800 -2.822588 -1.862249
H 0.556481 -2.526258 -1.788056
Pd 2.549395 -0.000156 -1.055979
32
72-Pd
C -2.692192 -1.921754 0.466265
C -2.537817 -0.554433 0.142744
C -2.691539 0.402987 1.177087
C -2.986248 0.002200 2.488116
C -3.139355 -1.359433 2.794834
C -2.995836 -2.317309 1.777677
P -2.224887 0.059019 -1.594144
C -1.534691 -1.491947 -2.458348
C -0.227027 -2.095162 -1.887568
P 1.180900 -0.811622 -1.887984
C 2.185821 -1.265756 -0.394944
C 3.006206 -0.280741 0.204890
C 3.807899 -0.598257 1.310401
C 3.810900 -1.902173 1.833649
C 3.005512 -2.887121 1.240441
C 2.198277 -2.574260 0.135185
Ge -0.095305 0.912031 -0.890281
H -0.387056 -2.456301 -0.860826
H 0.076149 -2.954776 -2.509982
H -2.324473 -2.263546 -2.465677
H -1.383944 -1.191942 -3.508985
H 2.997999 0.741149 -0.183421
H 4.427412 0.177696 1.766189
H 4.436408 -2.148344 2.694282
H 3.003490 -3.905396 1.636613
H 1.583822 -3.355765 -0.315621
H -2.574329 1.465592 0.950447
H -3.095130 0.757519 3.269652
H -3.369242 -1.671525 3.815639
H -3.118072 -3.379150 2.004135
H -2.588857 -2.684066 -0.307149
Pd 0.560129 2.565910 0.472892
78
73-Pd
C -2.183313 2.413738 -0.071824
C -2.466399 1.044365 -0.353909
C -3.763036 0.680071 -0.834060
C -4.748906 1.677017 -0.973338
C -4.479155 3.013662 -0.661360
C -3.202996 3.375161 -0.223510
Ge -1.139701 -0.406985 0.047861
N 0.564035 0.105363 -0.809670
C 0.797524 0.016357 -2.252623
C -4.144254 -0.767665 -1.164004
C -5.119279 -0.906050 -2.353386
C -0.818396 2.925658 0.397796
C -0.881374 3.439100 1.853581
C -0.145174 -0.017790 1.722394
N -0.637451 -0.062416 2.967710
C -2.022248 -0.438056 3.225518
C 1.254244 0.086144 1.464757
N 2.089750 0.070182 2.582504
C 3.377197 0.124807 2.611589
C 1.581025 0.109853 0.066564
C 2.976260 0.009114 -0.444724
C 3.513702 -1.287761 -0.622694
C 4.855200 -1.395716 -1.034487
C 5.623064 -0.250427 -1.283056
C 5.053058 1.025527 -1.156296
C 3.716706 1.177874 -0.747117
C 2.668901 -2.536573 -0.357353
C 3.081918 -3.204249 0.974024
C 3.070298 2.556948 -0.607658
C 3.508605 3.542423 -1.711317
C 2.750772 -3.544008 -1.525330
C 3.333049 3.158598 0.792466
C -4.713845 -1.466893 0.090399
C -0.263182 4.017127 -0.546905
H 1.511898 0.788760 -2.578328
H 1.198352 -0.971938 -2.532713
H -0.163313 0.169247 -2.763974
H 5.297093 -2.385250 -1.166715
H 6.664512 -0.350583 -1.597744
H 5.650929 1.908576 -1.387548
H 1.607120 -2.249352 -0.260494
H 2.441200 -4.080234 1.169123
H 4.131280 -3.542639 0.929325
H 2.977748 -2.501117 1.813554
H 2.059396 -4.381623 -1.338839
H 2.471344 -3.069832 -2.480082
H 3.767272 -3.957828 -1.631749
H 1.982054 2.426372 -0.705009
H 2.845130 4.144028 0.878530
H 2.940785 2.505706 1.585115
H 4.415540 3.293673 0.955178
H 2.910897 4.465125 -1.640030
H 4.569391 3.821928 -1.603234
H 3.367507 3.109749 -2.714831
H 3.859384 0.087366 3.597497
H 4.035275 0.205154 1.736735
H 0.051838 -0.134121 3.718855
H -2.200100 -0.451643 4.309582
H -2.702442 0.288820 2.753824
H -2.226832 -1.438083 2.788240
H -5.742621 1.404003 -1.331015
H -5.259629 3.771069 -0.769534
H -2.986706 4.420595 0.007390
H -3.225838 -1.312833 -1.438336
H -5.200428 -1.968501 -2.634583
H -6.133203 -0.554475 -2.099083
H -4.767413 -0.336918 -3.228860
H -5.009348 -2.502256 -0.150922
H -3.947324 -1.510089 0.880944
H -5.597889 -0.925314 0.469043
H -0.099511 2.103573 0.378379
H 0.115379 3.784514 2.175461
H -1.586577 4.281832 1.944940
H -1.204144 2.636874 2.534334
H 0.736396 4.332701 -0.206909
H -0.177894 3.636931 -1.577511
H -0.912448 4.907194 -0.562897
Pd -1.377560 -2.676254 0.074233
62
74-Pd
C -1.903700 -2.274193 1.957432
Si -2.746961 -0.746494 1.187613
C -3.649223 -1.395360 -0.360433
C -1.464196 0.594398 0.658588
Si -2.325343 1.907497 -0.476932
C -4.169098 2.187161 -0.043976
Ge -0.003023 -0.385848 -0.322686
C 1.495678 0.638324 0.550920
Si 2.620301 1.366890 -0.842764
C 3.031598 0.089265 -2.196288
C -0.673209 1.247012 1.845960
C 0.735185 1.733123 1.387349
Si 2.520734 -0.539497 1.686188
C 3.551847 0.492500 2.918907
C -1.556979 3.644942 -0.269822
C -2.210064 1.375453 -2.304986
C -3.929153 -0.058691 2.519819
C 1.426482 -1.691498 2.738947
C 3.652533 -1.664177 0.649034
C 1.713071 2.799587 -1.720786
C 4.241522 2.089548 -0.137000
H -0.543143 0.514928 2.662676
H -1.223179 2.100981 2.280158
H 1.314949 2.043886 2.273810
H 0.594805 2.636887 0.776798
H -4.372642 -2.184014 -0.087664
H -4.187528 -0.625571 -0.933838
H -2.890780 -1.845272 -1.029012
H -4.539552 -0.877440 2.940246
H -3.353386 0.381661 3.352901
H -4.612807 0.713324 2.139423
H -2.677214 -3.019649 2.216003
H -1.214149 -2.746207 1.235758
H -1.340209 -2.047105 2.875131
H -4.582069 2.926032 -0.754126
H -4.793420 1.283768 -0.100628
H -4.279010 2.608666 0.969325
H -2.735478 2.093386 -2.959488
H -1.162106 1.315183 -2.647142
H -2.651583 0.378582 -2.462441
H -2.242966 4.388087 -0.713064
H -1.428060 3.909395 0.793169
H -0.583903 3.751903 -0.767347
H 4.792363 2.622855 -0.932061
H 4.045326 2.810747 0.674517
H 4.908165 1.309048 0.263998
H 3.485813 0.608100 -3.059815
H 3.732345 -0.690445 -1.864320
H 2.115939 -0.422548 -2.543438
H 2.319228 3.147285 -2.575740
H 0.731647 2.490381 -2.117460
H 1.551700 3.666309 -1.059136
H 4.097503 -2.445225 1.290090
H 3.067715 -2.163314 -0.142208
H 4.476965 -1.115364 0.166456
H 4.150517 -0.184983 3.553507
H 4.243821 1.189740 2.423547
H 2.905573 1.081882 3.591737
H 2.066127 -2.306260 3.397203
H 0.727785 -1.133570 3.383021
H 0.833781 -2.377953 2.115174
Pd -0.073220 -2.133106 -1.722157
96
75-Pd
C 0.994408 -3.468741 2.385315
Si 0.975378 -3.010627 0.516386
C 1.951930 -4.388362 -0.410653
Si 1.912432 -0.880914 0.131830
Si 3.292378 -0.357541 1.958631
C 4.219371 1.304312 1.706634
Ge -0.003315 0.513453 -0.433715
P 0.333987 2.599578 0.749366
C 0.754594 2.887646 2.552459
C -0.392252 2.524071 3.510252
Si -2.025418 -0.720803 0.148363
Si -3.622682 0.002517 -1.432877
C -3.721916 1.912689 -1.423860
Si -1.248938 -2.918864 -0.267004
C -1.218461 -3.315325 -2.145563
Si -3.000456 -0.634577 2.286890
C -4.475716 -1.851496 2.423690
Si 3.148052 -0.893643 -1.872263
C 4.725099 -1.977516 -1.740426
C -2.316092 -4.260061 0.611573
C 2.036600 -1.555631 -3.278504
C 3.640864 0.895406 -2.336061
C 2.334252 -0.307363 3.622223
C 4.627423 -1.723649 2.137317
C -1.773559 -1.116610 3.681487
C -3.707457 1.121503 2.605703
C -3.163915 -0.523664 -3.210121
C -5.366968 -0.680881 -1.009128
C 1.748087 3.381231 -0.188755
C 2.464610 4.581594 0.459768
C -1.167884 3.650055 0.445757
C -1.074135 5.128354 0.862333
H 2.027572 -3.515518 2.769733
H 0.443032 -2.734795 2.992324
H 0.527883 -4.457392 2.541278
H 2.991906 -4.453039 -0.045887
H 1.481905 -5.376484 -0.259755
H 1.988905 -4.193625 -1.494582
H -0.690013 -4.267916 -2.327025
H -2.238701 -3.409646 -2.552719
H -0.700788 -2.524887 -2.710703
H -1.937735 -5.269705 0.371389
H -2.288313 -4.143148 1.707266
H -3.371877 -4.211666 0.294329
H -4.968757 -1.740907 3.406791
H -5.231079 -1.666310 1.643988
H -4.144598 -2.897878 2.327925
H -4.169636 1.185812 3.607359
H -2.933580 1.901625 2.543972
H -4.485339 1.363299 1.861116
H -2.174245 -0.839260 4.673146
H -1.622676 -2.209407 3.679178
H -0.779773 -0.653566 3.576571
H -6.093418 -0.390961 -1.789831
H -5.376915 -1.781930 -0.934037
H -5.731855 -0.277686 -0.049106
H -4.516052 2.264954 -2.106960
H -3.924926 2.326149 -0.421520
H -2.755493 2.313127 -1.779562
H -3.801634 0.009838 -3.938180
H -2.110592 -0.255612 -3.414952
H -3.284600 -1.605840 -3.377933
H 5.272206 -1.527793 3.013317
H 4.165064 -2.715511 2.275733
H 5.274452 -1.781623 1.246867
H 4.921494 1.489866 2.539486
H 4.805552 1.283036 0.772215
H 3.539402 2.167801 1.644023
H 2.964324 0.122996 4.421637
H 1.403568 0.279278 3.575320
H 2.058909 -1.329675 3.927023
H 4.217005 0.915680 -3.278739
H 2.715075 1.482859 -2.483972
H 4.248324 1.387482 -1.556692
H 5.223054 -2.053011 -2.723930
H 5.455047 -1.553867 -1.029708
H 4.485002 -2.999953 -1.404599
H 2.558380 -1.504126 -4.251275
H 1.719279 -2.599145 -3.116880
H 1.130083 -0.923504 -3.340361
H 1.030035 3.948627 2.671886
H 1.651657 2.292718 2.774400
H -0.058901 2.616219 4.556346
H -1.254007 3.194012 3.367606
H -0.738053 1.493229 3.352702
H -1.356096 3.543371 -0.633529
H -2.004901 3.151496 0.959581
H -2.049645 5.619368 0.714149
H -0.799061 5.238739 1.923328
H -0.331003 5.666364 0.255576
H 2.463258 2.566224 -0.373006
H 1.322765 3.627990 -1.175026
H 3.256791 4.939523 -0.217779
H 1.780662 5.420085 0.656803
H 2.942643 4.301151 1.410827
Pd -0.125835 1.452723 -2.538621
77
76-Pd
C -1.471530 0.295571 -1.299868
C -1.054406 -0.264727 -0.061357
C -2.063120 -0.626676 0.868216
C -3.418052 -0.453866 0.489857
C -3.828362 0.086559 -0.735381
C -2.815403 0.464891 -1.635969
Ge 0.956253 -0.548950 -0.025911
N 0.728276 -0.236099 -2.239909
C 1.899192 0.293473 -2.975345
C -1.842625 -1.164283 2.308524
C -0.373738 -1.239857 2.775093
C -5.306300 0.289218 -1.113432
C -6.278378 -0.196099 -0.015691
C -0.399731 0.735909 -2.275940
C 1.827775 1.278651 0.267485
C 1.137015 2.426217 0.759126
C 1.750953 3.696085 0.691623
C 3.048994 3.849728 0.204604
C 3.772479 2.715355 -0.182724
C 3.191214 1.433368 -0.151852
C -0.222051 2.373795 1.462559
C -0.090874 2.857624 2.926696
C 4.081394 0.229110 -0.484307
C 5.194833 0.506115 -1.515248
C -2.580537 -0.238502 3.319284
C -2.424459 -2.600832 2.398989
C 0.332418 -1.547309 -2.821590
C -5.558811 1.801380 -1.351041
C -5.618194 -0.491741 -2.416813
C 4.674978 -0.338905 0.824841
C -1.312868 3.172752 0.718598
H -3.074729 0.896380 -2.606445
H -4.184182 -0.761650 1.198253
H -0.791273 0.829015 -3.305962
H 0.022977 1.708918 -1.973456
H -2.431322 -0.623633 4.341798
H -2.172166 0.783256 3.271801
H -3.663477 -0.184902 3.133373
H -0.354777 -1.535163 3.837352
H 0.199815 -1.990286 2.209523
H 0.140070 -0.267135 2.702813
H -2.300489 -2.990787 3.423333
H -3.496949 -2.621756 2.149822
H -1.891247 -3.268503 1.703031
H -7.315656 -0.024387 -0.344027
H -6.153791 -1.273051 0.181902
H -6.121532 0.351455 0.927659
H -6.609764 1.968361 -1.641975
H -5.352969 2.375986 -0.433452
H -4.912476 2.191729 -2.152519
H -6.669387 -0.330762 -2.709633
H -4.975914 -0.158518 -3.246797
H -5.457038 -1.571764 -2.268781
H 1.625348 0.479706 -4.030106
H 2.231324 1.225345 -2.502188
H 2.707881 -0.446333 -2.931901
H 1.144542 -2.260568 -2.622533
H -0.575766 -1.902453 -2.319557
H 0.148179 -1.435294 -3.905933
H 4.805405 2.831742 -0.513567
H 3.508491 4.840154 0.154521
H 1.200811 4.569332 1.049787
H 3.453354 -0.574358 -0.897049
H 5.658715 -0.447869 -1.814405
H 4.801345 1.003026 -2.417270
H 5.993212 1.141729 -1.097711
H 5.329108 -1.199268 0.603275
H 5.265726 0.430746 1.350404
H 3.861912 -0.687885 1.481800
H -0.555867 1.336187 1.504854
H -2.275720 3.079788 1.247949
H -1.052234 4.242799 0.663062
H -1.451152 2.791646 -0.303682
H -1.058966 2.755535 3.445147
H 0.661231 2.263135 3.469597
H 0.211034 3.916272 2.974473
Pd 1.972163 -2.571627 0.209747
76
77-Pd
C 1.869420 2.193424 0.497800
C 0.925065 1.190496 0.882431
C 0.036026 1.474750 1.971179
C 0.007397 2.774424 2.518798
C 0.869777 3.777695 2.066196
C 1.820637 3.470725 1.088772
Ge 0.668317 -0.307451 -0.467917
C -0.836394 -1.464354 0.072142
C -0.486140 -2.760329 0.497776
C -1.470836 -3.639202 0.977330
C -2.811098 -3.218079 1.007856
C -3.172699 -1.948628 0.521571
C -2.192448 -1.071069 0.028245
C 0.966242 -3.178573 0.317979
N 1.875118 -1.997810 0.492266
C 2.004050 -1.649869 1.949853
C 2.798193 -2.628284 2.832535
C -2.496630 0.304066 -0.551737
N -3.920991 0.638040 -0.658821
C -4.531449 -0.099573 -1.787896
C -6.054670 -0.233814 -1.645140
C -0.771718 0.405913 2.719984
C -2.260932 0.739285 2.961027
C 3.016281 1.932290 -0.483973
C 4.378663 2.024357 0.243196
C -4.100439 2.093295 -0.839516
C -3.858171 2.908487 0.440850
C -0.089513 0.145564 4.090033
C 2.964433 2.864613 -1.710351
C 3.239480 -2.178855 -0.110860
C 3.266557 -2.541738 -1.599064
H -1.197621 -4.640576 1.322991
H -3.580382 -3.886062 1.402114
H -4.213826 -1.622977 0.535860
H -1.982601 0.377190 -1.543153
H -2.001624 1.055783 0.081172
H -5.138786 2.261479 -1.162711
H -3.446291 2.469342 -1.659852
H -4.104625 3.966767 0.254606
H -4.497742 2.532854 1.254572
H -2.810885 2.865580 0.776560
H -4.272215 0.382374 -2.757595
H -4.090826 -1.107050 -1.810924
H -6.463250 -0.817045 -2.486740
H -6.301826 -0.748988 -0.703315
H -6.558259 0.745947 -1.639488
H -0.681514 2.989524 3.338493
H 0.826903 4.779372 2.501188
H 2.543778 4.228697 0.778953
H -0.746006 -0.523350 2.145968
H -0.566068 -0.711434 4.595979
H 0.985684 -0.062821 3.976278
H -0.190141 1.029441 4.741023
H -2.717650 -0.066618 3.558500
H -2.376749 1.679977 3.523747
H -2.827609 0.821800 2.026301
H 2.923492 0.907793 -0.876643
H 5.197636 1.778922 -0.454209
H 4.555571 3.039538 0.635052
H 4.420115 1.324308 1.095024
H 3.817165 2.660597 -2.379514
H 2.029361 2.683522 -2.268135
H 3.004007 3.925655 -1.413288
H 1.254842 -3.996844 0.999084
H 1.101407 -3.538528 -0.711812
H 0.981419 -1.570245 2.328595
H 2.447933 -0.645785 1.993874
H 2.679744 -2.308866 3.879775
H 2.423763 -3.660731 2.755409
H 3.873315 -2.627384 2.600565
H 3.753349 -1.218097 0.049816
H 3.780970 -2.949853 0.462498
H 4.307633 -2.463739 -1.951163
H 2.930196 -3.574599 -1.779000
H 2.637847 -1.849476 -2.184052
Pd 0.935887 0.115637 -2.683375
88
78-Pd
C 0.772065 2.836863 0.166343
C 0.532966 1.599233 0.841830
C -0.251931 1.621647 2.041554
C -0.871959 2.819261 2.447758
C -0.705634 4.006040 1.726462
C 0.138122 4.013862 0.613364
Ge 0.823112 -0.076049 -0.282301
C -0.310756 -1.528625 0.396536
C 0.345373 -2.753827 0.616400
C -0.381030 -3.882260 1.024993
C -1.775338 -3.784362 1.182403
C -2.443258 -2.587995 0.871227
C -1.719295 -1.457531 0.454572
C 1.801512 -2.842787 0.179881
N 2.566398 -1.574005 0.447267
C 3.077363 -1.576165 1.891784
C 2.141765 -2.200460 2.945432
C -2.404335 -0.165557 0.018355
N -3.777521 -0.340921 -0.458664
C -3.906048 -0.758256 -1.885990
C -2.727421 -1.599069 -2.419279
C -0.326685 0.442198 3.011604
C -1.731289 0.078162 3.540764
C 1.732987 2.985536 -1.014964
C 2.911133 3.917335 -0.646504
C -4.631257 0.838859 -0.152645
C -4.026079 2.192974 -0.601271
C -5.006258 0.867044 1.340550
C -5.205397 -1.573355 -2.061380
C 0.595210 0.740575 4.222340
C 1.010734 3.463014 -2.291555
C 3.798758 -1.389655 -0.475920
C 3.771611 -2.200816 -1.782562
C 4.059542 0.089939 -0.842547
C 3.528799 -0.168571 2.319514
H 0.130664 -4.833279 1.201712
H -2.345930 -4.655183 1.513990
H -3.532003 -2.522723 0.909220
H -1.765369 0.333111 -0.744161
H -2.414275 0.534162 0.864483
H -5.565016 0.693892 -0.715821
H -4.771139 2.997838 -0.489766
H -3.145926 2.457747 0.005924
H -3.716528 2.156620 -1.658206
H -3.968070 0.147197 -2.528217
H -5.365059 -1.806400 -3.127476
H -5.121190 -2.518809 -1.501381
H -6.094379 -1.036989 -1.694950
H -1.474578 2.823472 3.358224
H -1.203575 4.923291 2.050363
H 0.316871 4.947608 0.075603
H 0.053569 -0.437291 2.485462
H 0.653016 -0.139264 4.884966
H 1.612066 1.006032 3.902122
H 0.189621 1.584992 4.803501
H -1.635665 -0.721838 4.293506
H -2.216800 0.937052 4.031398
H -2.390744 -0.294969 2.748464
H 2.158394 2.002419 -1.248061
H 3.628886 3.962259 -1.482765
H 2.564387 4.942980 -0.438316
H 3.438207 3.549355 0.249252
H 1.732965 3.568691 -3.118630
H 0.250535 2.719197 -2.585765
H 0.517319 4.437050 -2.136625
H 2.322840 -3.714414 0.613705
H 1.770371 -2.972613 -0.907462
H 3.966695 -2.236344 1.884376
H 2.677748 -2.156755 3.906702
H 1.196518 -1.666952 3.058678
H 1.917336 -3.253495 2.734084
H 4.662092 -1.753696 0.106684
H 4.683955 -1.946534 -2.345801
H 3.769266 -3.288488 -1.616119
H 2.897453 -1.908469 -2.390771
H 5.137983 0.222555 -1.032344
H 3.499670 0.350981 -1.753535
H 3.757365 0.791817 -0.057487
H 3.717262 -0.157728 3.403623
H 4.456924 0.130651 1.814547
H 2.747358 0.571715 2.093202
H -5.739814 1.668178 1.530327
H -5.441741 -0.098338 1.641144
H -4.127160 1.065041 1.974216
H -2.928557 -1.830415 -3.477922
H -1.759555 -1.070401 -2.368293
H -2.635589 -2.545822 -1.867286
Pd 0.876212 -0.051742 -2.561157
98
79-Pd
C -2.426156 -0.171307 1.325416
C -1.674106 -0.547533 0.185206
C -2.315366 -0.477637 -1.082590
C -3.620044 -0.005237 -1.235190
C -4.370506 0.401555 -0.115588
C -3.752015 0.291459 1.137252
Ge 0.174815 -1.329467 -0.017390
O -0.171788 -0.634400 -2.118611
C 0.689658 -0.930370 -3.272198
C 2.056734 -0.312127 -2.982708
C -1.572213 -0.975957 -2.299310
C -5.798327 0.942174 -0.307148
C -5.761322 2.170879 -1.254116
C -1.928926 -0.208353 2.793121
C -1.973995 1.222823 3.394988
C 1.668382 0.029654 0.283552
C 3.028395 -0.346630 0.572748
C 4.020597 0.650936 0.508448
C 3.763838 1.996287 0.201409
C 2.432169 2.363291 -0.003726
C 1.397204 1.412898 0.041649
C 3.504113 -1.783261 0.952328
C 3.482307 -2.704034 -0.295145
C -0.020369 1.938763 -0.161887
O -0.031300 3.355195 -0.325633
C -1.298854 3.858600 -0.769711
C -2.386148 3.723315 0.312634
C 4.932774 2.994119 0.117383
C 5.912365 2.530422 -0.992579
C 0.770513 -2.431410 -3.572057
C -2.858305 -1.144794 3.613884
C -0.493042 -0.735932 2.966569
C -6.679184 -0.163535 -0.946008
C -6.454704 1.379731 1.020630
C -1.061775 5.321215 -1.159121
C 4.463843 4.427166 -0.217248
C 5.681917 3.031923 1.475381
C 4.969821 -1.814678 1.473790
C 2.650607 -2.370053 2.106866
H 0.213523 -0.401878 -4.118139
H -1.616289 3.282649 -1.664924
H -4.056451 0.051226 -2.235864
H -4.310147 0.596956 2.020295
H -1.647606 -2.076845 -2.376172
H -1.930687 -0.508565 -3.231947
H 2.670527 -0.374996 -3.895471
H 1.960642 0.740739 -2.682800
H 2.568309 -0.853404 -2.176353
H 1.487052 -2.592247 -4.393989
H 1.106407 -2.975609 -2.674617
H -0.202838 -2.841446 -3.879614
H -1.654933 1.191979 4.450391
H -1.294063 1.895143 2.847745
H -2.986288 1.652971 3.354900
H -0.243735 -0.765207 4.039730
H -0.396710 -1.766489 2.584876
H 0.249147 -0.087074 2.478252
H -2.521320 -1.174288 4.663819
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104
80-Pd
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76
81-Pd
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47
82-Pd
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43
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102
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H 4.518453 -2.252856 -3.967532
H 3.553258 -3.442303 -3.046403
H 2.782428 -1.951265 -3.673014
H 5.037184 0.047043 -2.981996
H 3.282979 0.275749 -2.676537
H 4.450245 0.455221 -1.335979
49
86-Pd
C -3.094814 3.329533 -0.965867
C -1.893361 2.895045 -1.543921
C -1.216182 1.784837 -1.009974
N -1.745903 1.134094 0.063896
C -2.905673 1.532647 0.629369
C -3.610035 2.635788 0.142149
Si 0.423612 0.992771 -1.624815
C 1.075563 0.151512 -0.050920
Si 1.907506 1.438649 1.121481
C 2.352957 0.737447 2.844367
Ge -0.701254 -0.640569 0.666149
Cl -0.896890 -0.099609 2.870470
C -0.126604 -0.248052 -2.962823
C 1.458792 2.377251 -2.419334
Si 2.316608 -1.252412 -0.521657
C 3.459834 -0.654615 -1.937220
C 3.421310 -1.736287 0.953784
C 1.455887 -2.847347 -1.111843
C 3.564083 2.045412 0.375123
C 0.773289 2.956991 1.355663
H -3.238284 0.948742 1.488088
H -4.537896 2.943490 0.625243
H -3.622134 4.197356 -1.367394
H -1.466077 3.419859 -2.400388
H 2.206479 -3.540976 -1.533851
H 0.947428 -3.355626 -0.274995
H 0.688131 -2.655379 -1.877368
H 4.202865 -1.438501 -2.168597
H 2.902682 -0.451537 -2.867057
H 4.010696 0.260861 -1.671207
H 4.098108 -2.554919 0.650691
H 4.041976 -0.902433 1.317212
H 2.820194 -2.096497 1.804808
H 1.274699 3.693531 2.008258
H 0.523261 3.464880 0.409146
H -0.169815 2.662919 1.842696
H 3.447001 0.738080 2.987780
H 1.902689 1.359984 3.634654
H 1.989886 -0.287080 2.997992
H 3.970481 2.850219 1.014222
H 4.312996 1.236119 0.356144
H 3.472991 2.442094 -0.646612
H 0.719772 -0.804508 -3.396167
H -0.820061 -0.982545 -2.511963
H -0.650683 0.271862 -3.783748
H 2.434313 1.996639 -2.760146
H 0.929709 2.772835 -3.304700
H 1.643219 3.214387 -1.727930
Pd -1.771402 -2.422131 -0.235832
53
87-Pd
C 0.867446 -0.079759 1.537507
N -0.485078 0.069143 1.053579
C -0.723286 1.457192 0.604594
C 0.354076 1.743158 -0.471267
O 1.666081 1.740673 0.219998
C 1.878448 0.698204 1.074212
C -1.473889 -0.449726 2.057908
C -2.916398 -0.314316 1.633445
C -3.651709 0.835632 1.982161
C -4.987316 0.976536 1.579233
C -5.600612 -0.039291 0.826646
C -4.876866 -1.192162 0.483370
C -3.540905 -1.328902 0.887503
Ge -0.126919 -1.012604 -0.971493
Cl -2.067666 -1.083736 -2.146767
O 0.344847 0.738598 -1.422069
C 0.227612 3.145148 -1.145662
C 0.294808 4.272754 -0.089000
C 3.352479 0.467399 1.374810
C 4.074447 0.197574 0.026926
C 3.950767 1.733106 2.042143
C 3.562940 -0.751100 2.295925
C 1.379720 3.325949 -2.161928
C -1.123253 3.222298 -1.895218
H 1.044729 -0.952167 2.155493
H -1.724038 1.511365 0.165349
H -0.634269 2.154760 1.451728
H 5.032098 1.591784 2.200791
H 3.801088 2.615835 1.403332
H 3.474787 1.919917 3.018677
H 5.146789 0.021108 0.212633
H 3.637935 -0.694054 -0.459492
H 3.963188 1.049213 -0.658234
H 4.639210 -0.885076 2.484194
H 3.055025 -0.620198 3.265079
H 3.173923 -1.665810 1.813257
H -1.210323 -1.507633 2.212005
H -1.297341 0.092765 3.004157
H -3.171023 1.619666 2.573346
H -5.548526 1.872113 1.853991
H -6.640477 0.067560 0.510617
H -5.347025 -1.980996 -0.106334
H -2.973622 -2.218407 0.608864
H -1.166333 4.165638 -2.462674
H -1.231660 2.379906 -2.592619
H -1.977085 3.213135 -1.198354
H 1.268555 4.300849 -2.663397
H 2.356808 3.299078 -1.657857
H 1.351614 2.530291 -2.919354
H 0.253539 5.248537 -0.599245
H -0.556209 4.227547 0.610252
H 1.229341 4.220140 0.488831
Pd 1.527785 -2.491008 -0.451099
54
88-Pd
C -1.684821 -1.140161 0.205707
C -0.662415 -0.160983 0.293883
C -1.032191 1.206703 0.205486
C -2.351199 1.607291 -0.014922
C -3.374388 0.650641 -0.154058
C -3.009711 -0.696449 -0.031969
Ge 1.333470 -0.389408 0.296466
O 1.277917 1.767845 -0.101575
C 2.431091 2.721959 -0.101163
C 2.565865 3.409528 1.267336
C 0.017498 2.272662 0.417410
C -4.817421 1.111599 -0.427700
C -4.850835 1.924677 -1.748654
C -1.509885 -2.672549 0.369958
C -1.880330 -3.370237 -0.966255
C -5.807258 -0.066792 -0.561597
C -5.293023 2.015733 0.739892
C -0.088790 -3.129925 0.757682
C -2.458154 -3.173437 1.497978
Cl 1.781013 -0.082445 2.515495
C 3.681717 1.889014 -0.403635
C 2.179378 3.733779 -1.231230
H -2.584902 2.672501 -0.087029
H -3.785685 -1.452748 -0.129330
H -0.242664 3.202923 -0.108776
H 0.144132 2.486459 1.491348
H 3.499237 3.993307 1.273192
H 1.733637 4.102663 1.464012
H 2.610484 2.656400 2.066617
H 4.534947 2.576719 -0.517666
H 3.897853 1.185339 0.412462
H 3.552412 1.311006 -1.331191
H 3.049325 4.404069 -1.310819
H 2.046052 3.208841 -2.188831
H 1.293771 4.357228 -1.034789
H -2.337745 -4.262878 1.617879
H -2.206150 -2.687384 2.454008
H -3.517264 -2.973077 1.277956
H -0.105620 -4.212564 0.964930
H 0.635751 -2.971047 -0.058519
H 0.270347 -2.626376 1.670393
H -1.785238 -4.463655 -0.855354
H -2.914185 -3.143324 -1.269981
H -1.201682 -3.040074 -1.769447
H -6.817658 0.325437 -0.757862
H -5.528590 -0.730494 -1.395906
H -5.845444 -0.665618 0.362638
H -6.318898 2.371379 0.545889
H -5.288987 1.456868 1.689487
H -4.640265 2.894893 0.855501
H -5.876820 2.278342 -1.945440
H -4.188469 2.802865 -1.695444
H -4.526438 1.300030 -2.596416
Pd 2.759617 -1.422533 -1.113394
34
89-Pd
C -1.626126 -1.215941 -0.087707
C -0.918252 0.000077 0.013363
C -1.625753 1.216320 -0.087633
C -3.060773 1.231921 -0.295543
C -3.737528 0.000514 -0.395440
C -3.061150 -1.231104 -0.295607
C -0.942318 2.476795 0.023581
C -1.611366 3.682417 -0.065040
C -3.026629 3.675397 -0.276274
C -3.733597 2.495498 -0.388677
C -0.943066 -2.476615 0.023442
C -1.612477 -3.682038 -0.065212
C -3.027741 -3.674589 -0.276432
C -3.734357 -2.494475 -0.388786
O 0.413806 2.333389 0.214938
C 1.254194 3.491422 0.313832
Ge 1.060922 -0.000217 0.283251
Cl 1.162279 -0.000325 2.535467
O 0.413093 -2.333549 0.214790
C 1.253193 -3.491770 0.313884
H -4.813866 2.505192 -0.548606
H -3.546672 4.632886 -0.345724
H -1.080577 4.629138 0.027281
H -4.814630 -2.503840 -0.548703
H -3.548073 -4.631920 -0.345905
H -1.081977 -4.628922 0.027069
H -4.819661 0.000680 -0.551796
H 2.273347 -3.098324 0.399504
H 0.981689 -4.078206 1.206503
H 1.151317 -4.109457 -0.593279
H 2.274269 3.097743 0.399343
H 1.152337 4.109063 -0.593364
H 0.982942 4.077984 1.206444
Pd 2.945404 -0.000244 -0.950827
94
90-Pd
C 3.890125 -0.495654 -1.335076
C 3.528032 -0.163694 0.003704
C 4.526294 0.037936 0.995098
C 5.878171 -0.068026 0.620080
C 6.246244 -0.376412 -0.694383
C 5.254326 -0.590867 -1.660384
N 2.126502 -0.034199 0.317284
Ge 1.566507 1.767422 0.200767
N -0.303520 1.508474 0.089014
C -1.060463 2.727009 -0.034734
C -1.678863 3.269764 1.127305
C -2.391931 4.474430 1.006776
C -2.515549 5.123447 -0.229865
C -1.931848 4.561138 -1.369635
C -1.202836 3.359344 -1.298650
C -1.545406 2.568899 2.479264
C -2.807724 2.684401 3.359478
C -0.616885 2.766965 -2.577605
C 0.404227 3.725679 -3.229776
C 4.171327 0.379885 2.439812
C 4.585802 1.830855 2.778268
C 2.825419 -0.683636 -2.418046
C 3.110220 -1.874673 -3.357704
Ge -1.376137 0.016658 -0.246287
N -0.402973 -1.420508 0.449811
C -1.229287 -2.596366 0.540099
C -2.038762 -2.796927 1.691920
C -2.845603 -3.946465 1.756013
C -2.865172 -4.879202 0.711443
C -2.079435 -4.659823 -0.425966
C -1.256089 -3.524560 -0.536799
C -2.097516 -1.769957 2.820458
C -1.852162 -2.402335 4.208121
C -0.472694 -3.297176 -1.827889
C -1.440300 -2.994010 -2.995336
Ge 1.418717 -1.712337 0.853976
C -3.449881 -1.018632 2.785977
C 0.458797 -4.483216 -2.161093
C -0.306271 3.093956 3.241046
C -1.737306 2.382205 -3.570636
C 4.799199 -0.620670 3.436464
C 2.652380 0.621944 -3.228451
H -3.472186 -4.105953 2.636089
H -3.497794 -5.767100 0.779641
H -2.106825 -5.375324 -1.250767
H -2.865135 4.907488 1.889447
H -3.075384 6.058498 -0.303501
H -2.042265 5.054865 -2.337760
H 6.650715 0.095156 1.374678
H 7.301532 -0.452816 -0.965639
H 5.543233 -0.835103 -2.684338
H -1.382247 1.496711 2.288426
H -2.688546 2.058071 4.258427
H -2.975739 3.720107 3.697286
H -3.702018 2.347678 2.812722
H -0.191800 2.569383 4.204869
H 0.616850 2.950005 2.654117
H -0.409929 4.173670 3.439326
H -0.081660 1.842163 -2.320222
H -1.304079 1.930183 -4.479087
H -2.423243 1.653436 -3.102754
H -2.321213 3.268459 -3.869509
H 0.836083 3.266134 -4.134125
H -0.077978 4.672876 -3.522130
H 1.223101 3.961853 -2.530920
H 1.864417 -0.886606 -1.923255
H 2.259370 -2.016544 -4.044178
H 4.009229 -1.703113 -3.971682
H 3.255751 -2.803874 -2.784925
H 1.860252 0.506869 -3.987697
H 2.382464 1.467558 -2.573634
H 3.594111 0.884418 -3.738523
H 3.079229 0.312953 2.549927
H 4.486855 -0.376515 4.465418
H 4.485812 -1.651978 3.208424
H 5.900129 -0.581566 3.398250
H 4.309736 2.077420 3.817320
H 5.675863 1.957709 2.670458
H 4.091387 2.547647 2.102643
H -1.302173 -1.029170 2.653313
H -3.483562 -0.247457 3.573191
H -3.598777 -0.533417 1.805170
H -4.284201 -1.721357 2.947951
H -1.855764 -1.619467 4.984734
H -2.640127 -3.130522 4.460465
H -0.882183 -2.924320 4.238805
H 0.161635 -2.408894 -1.700834
H 1.032043 -4.268883 -3.077678
H 1.169023 -4.667110 -1.338472
H -0.117797 -5.407949 -2.326571
H -0.875518 -2.792180 -3.921664
H -2.112608 -3.848942 -3.176950
H -2.059759 -2.111446 -2.752881
Pd -3.409579 -0.160416 -1.179360
28
91-Pd
C 4.342457 1.225192 -0.000199
C 3.613908 0.000026 -0.000051
C 2.161051 -0.000013 0.000002
C 1.495243 1.294413 -0.000010
C 2.266926 2.468782 -0.000193
C 3.677435 2.433707 -0.000295
C 4.342432 -1.225186 0.000046
C 3.677479 -2.433714 0.000183
C 2.266950 -2.468889 0.000183
C 1.495329 -1.294515 0.000064
N 0.088206 -1.402055 -0.000043
Ge -1.110824 -0.000011 0.000058
N 0.088098 1.402187 0.000215
C -0.513643 2.741751 0.000458
C -0.513715 -2.741569 -0.000175
H 5.433499 1.179544 -0.000242
H 4.231572 3.375067 -0.000433
H 1.781353 3.440993 -0.000254
H 5.433478 -1.179568 0.000011
H 4.231728 -3.375009 0.000276
H 1.781345 -3.441079 0.000265
H -0.210726 -3.310852 0.896055
H -0.210139 3.310892 0.896599
H -1.611038 2.641069 0.000790
H -0.210697 3.311016 -0.895794
H -0.210405 -3.310793 -0.896334
H -1.611070 -2.640724 -0.000363
Pd -3.356256 -0.000023 -0.000081
40
92-Pd
C -2.663079 2.133970 0.800738
C -1.776435 1.128682 0.379717
C -2.316859 -0.184066 0.076076
C -3.759369 -0.328996 0.006995
C -4.607892 0.748311 0.390985
C -4.061416 1.941341 0.820440
C -1.515372 -1.367452 -0.163945
C -2.133206 -2.516621 -0.687587
C -3.535167 -2.603258 -0.830045
C -4.340852 -1.548850 -0.446619
N -0.152262 -1.385075 0.199079
C 0.524649 -2.703973 0.393753
C 1.470994 -2.688343 1.611457
N -0.398945 1.426527 0.168374
C -0.036872 2.863297 -0.063719
C -0.655434 3.352471 -1.389367
Ge 0.927515 0.124576 0.124181
C 1.474769 3.149517 -0.061286
C 1.264811 -3.154064 -0.881028
H -5.429471 -1.619924 -0.494848
H -3.972835 -3.524587 -1.221165
H -1.530138 -3.375867 -0.972615
H -5.689356 0.605745 0.338602
H -4.703213 2.764441 1.142611
H -2.290458 3.115983 1.079084
H -0.443953 3.454711 0.770822
H -0.471718 4.432289 -1.512711
H -0.185923 2.817476 -2.230759
H -1.738998 3.173155 -1.417302
H 1.604867 4.239683 -0.154366
H 1.959454 2.812244 0.867504
H 1.988239 2.664398 -0.906771
H -0.269951 -3.426780 0.631189
H 1.686663 -4.164173 -0.747409
H 0.587574 -3.162249 -1.748906
H 2.089125 -2.449292 -1.087502
H 1.814708 -3.717060 1.808362
H 2.355911 -2.057509 1.425387
H 0.947666 -2.311688 2.504088
Pd 3.171090 0.133057 -0.094753
73
93-Pd
C 3.273551 -1.219728 0.109992
C 2.728845 0.063792 0.357486
C 3.402220 1.245740 -0.042891
C 4.639446 1.118142 -0.697403
C 5.194069 -0.144058 -0.952101
C 4.513024 -1.299661 -0.552876
N 1.429548 0.173297 0.965660
C 1.293606 0.410537 2.346565
C 2.581668 0.486967 3.139674
C 2.767638 2.619549 0.166056
C 3.772546 3.682298 0.660414
C 2.549669 -2.499396 0.520491
C 2.078726 -3.282541 -0.726996
Ge -0.014415 0.003720 -0.206108
N -1.377733 0.241911 1.016731
C -1.263272 0.497917 2.410029
C -2.361116 0.671977 3.202777
C -2.687933 0.125455 0.432440
C -3.320836 1.283574 -0.078962
C -4.567334 1.134586 -0.712996
C -5.172084 -0.124062 -0.828493
C -4.532937 -1.256849 -0.308518
C -3.285442 -1.154165 0.334018
C -2.648788 2.651818 -0.010665
C -2.131744 3.053758 -1.413019
C -2.591388 -2.406272 0.861827
C -3.493282 -3.194585 1.837712
C 0.086028 0.556379 2.970211
C -2.126538 -3.298324 -0.313421
C -3.585083 3.734349 0.568953
C 2.084524 3.081359 -1.144074
C 3.430640 -3.386184 1.429603
H 0.118447 0.732547 4.045705
H -3.375087 0.625758 2.810884
H -2.226160 0.861549 4.267578
H 2.365319 0.647483 4.205098
H 3.166230 -0.441812 3.028022
H 3.224463 1.306965 2.778585
H 4.943741 -2.282412 -0.756393
H 6.154979 -0.224945 -1.465419
H 5.169830 2.016130 -1.019084
H -5.062489 2.015346 -1.126689
H -6.139370 -0.222195 -1.326917
H -5.001531 -2.238425 -0.405284
H 1.984623 2.525294 0.932209
H 3.242663 4.624450 0.874802
H 4.283729 3.351783 1.579092
H 4.540371 3.897115 -0.100429
H 1.571690 4.046238 -0.993012
H 2.835876 3.204599 -1.942020
H 1.345702 2.338922 -1.488946
H 1.655601 -2.221543 1.097304
H 2.868317 -4.280219 1.745319
H 4.335472 -3.722919 0.898131
H 3.748391 -2.836632 2.330509
H 1.527213 -4.188975 -0.425879
H 1.414821 -2.652405 -1.345797
H 2.940953 -3.587809 -1.343127
H -1.699242 -2.094329 1.422679
H -2.952867 -4.075455 2.222119
H -3.786171 -2.561744 2.690032
H -4.408866 -3.550076 1.337154
H -1.587907 -4.184046 0.064698
H -2.992061 -3.644271 -0.902966
H -1.455458 -2.733977 -0.986005
H -1.782754 2.575480 0.661266
H -3.050540 4.696235 0.637465
H -4.470099 3.884986 -0.070743
H -3.927668 3.450813 1.576426
H -1.592267 4.015046 -1.366016
H -1.451365 2.282795 -1.814070
H -2.974640 3.161903 -2.116228
Pd -0.155953 -0.575151 -2.367094
86
94-Pd
C -3.111054 -3.053334 -0.104052
C -3.347003 -2.714366 1.244896
C -4.673555 -2.719706 1.716272
C -5.741591 -3.060048 0.869490
C -5.495040 -3.399767 -0.469478
C -4.174692 -3.396563 -0.951712
C -2.199850 -2.302950 2.168622
C -1.206226 -1.362636 1.484460
C 0.020004 -1.977171 0.927846
C 0.206845 -3.330776 0.837667
N 1.055122 -1.099857 0.490550
C 2.316644 -1.660338 0.077451
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102-Pd
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C 3.320060 -2.104726 -0.452556
C 4.477261 -2.699864 -1.287548
C 2.464854 2.973767 -0.016914
C 2.072392 3.728127 1.272726
C 0.451652 0.764204 -2.973132
C -0.837290 0.957148 -2.420580
C -1.923713 1.472647 -3.347729
N -1.128101 0.691716 -1.138148
Ge 0.065947 -0.593050 -0.119363
P 0.186613 0.413691 2.053770
Si -1.139684 -1.018350 3.246941
C -0.809753 -0.634316 5.090335
C -2.426085 0.993765 -0.593705
C -3.505433 0.093082 -0.785514
C -4.753859 0.427197 -0.225689
C -4.932295 1.607099 0.500449
C -3.851076 2.478141 0.688054
C -2.581482 2.192538 0.154630
C -3.377295 -1.220128 -1.555291
C -3.577781 -2.428046 -0.611105
C -1.415215 3.164510 0.339793
C -1.295786 4.131517 -0.862095
C -2.955311 -0.614928 2.838256
C -0.748969 -2.851238 2.907625
C -1.498959 3.960100 1.657842
C -4.391261 -1.304296 -2.721228
C 2.926725 -3.062659 0.693846
C 3.248929 3.923997 -0.954103
H 0.547416 0.938645 -4.043160
H -1.483657 1.959682 -4.228735
H -2.541292 0.626821 -3.688571
H -2.591287 2.178445 -2.835147
H 2.802544 0.910210 -4.067420
H 3.621853 1.433939 -2.562730
H 3.504111 -0.288386 -2.929836
H 4.740628 2.792697 1.440196
H 6.107196 0.783349 1.986838
H 5.425939 -1.451409 1.112931
H -5.591533 -0.259672 -0.361455
H -5.908176 1.846750 0.928665
H -3.997505 3.392739 1.263096
H 2.440527 -2.018502 -1.109642
H 4.169498 -3.667217 -1.717556
H 4.764223 -2.026674 -2.112169
H 5.371459 -2.872507 -0.666042
H 2.668129 -4.052449 0.282187
H 3.758191 -3.184722 1.409518
H 2.043450 -2.682953 1.229158
H 1.538015 2.681500 -0.529050
H 2.646059 4.821795 -1.170664
H 4.188427 4.248204 -0.476653
H 3.501335 3.442351 -1.911042
H 1.485519 4.623827 1.012314
H 1.468578 3.088888 1.933002
H 2.966911 4.061547 1.823864
H -0.492432 2.570671 0.374373
H -0.460999 4.833439 -0.697652
H -1.102544 3.587182 -1.797743
H -2.222198 4.718027 -0.982971
H -0.572329 4.533739 1.800259
H -2.336821 4.677000 1.646683
H -1.623472 3.283722 2.517331
H -2.356791 -1.300856 -1.961297
H -4.202216 -2.213367 -3.315251
H -5.423991 -1.360275 -2.339138
H -4.331849 -0.430678 -3.389018
H -3.496086 -3.367204 -1.183844
H -2.803184 -2.438022 0.171085
H -4.572660 -2.394912 -0.134909
H 1.410370 -0.279284 2.333710
H -1.446544 -1.262602 5.738763
H -1.024197 0.422119 5.324945
H 0.241824 -0.832646 5.359361
H -3.176248 0.450954 3.013632
H -3.633541 -1.211174 3.474415
H -3.204473 -0.827113 1.787814
H 0.264109 -3.107944 3.262698
H -0.782874 -3.064103 1.822626
H -1.468373 -3.514744 3.421156
Pd -0.210967 -2.738140 -0.817009
101
118-Pd
C -2.093391 -2.794120 -0.569257
C -2.270400 -1.738695 0.368235
C -3.561044 -1.184615 0.608782
C -4.641757 -1.677572 -0.149575
C -4.473396 -2.675183 -1.111680
C -3.206742 -3.237920 -1.302753
N -1.097013 -1.186747 0.998813
C -0.845185 -1.306174 2.298575
C -1.704344 -2.183641 3.195295
C -3.875468 -0.128176 1.671300
C -4.624796 1.090159 1.081559
C -0.771362 -3.551018 -0.660779
C -0.795169 -4.691526 0.387325
C 0.264208 -0.687246 2.945261
C 1.444475 -0.227171 2.355164
C 2.641017 0.032518 3.256490
N 1.598527 -0.071518 1.015840
Ge 0.074031 0.015661 -0.248166
P -1.254641 1.907611 0.333672
Si -0.254694 3.721907 1.224568
C 0.973352 3.182688 2.581581
C 2.926113 -0.248284 0.476928
C 3.651492 0.837304 -0.068171
C 4.991754 0.628067 -0.446427
C 5.603850 -0.620715 -0.305359
C 4.848106 -1.704035 0.157056
C 3.500996 -1.547131 0.524620
C 3.026452 2.199745 -0.334774
C 3.816151 3.342707 0.341565
C 2.677820 -2.796063 0.831892
C 2.625678 -3.662750 -0.448102
Si -1.905413 2.483617 -1.761782
C -0.478318 2.883613 -2.955088
C -2.822191 0.966852 -2.466189
C -3.079880 3.985913 -1.605445
C 3.221564 -3.606973 2.027905
C 2.930910 2.410857 -1.864092
C -4.752780 -0.731057 2.799428
C -0.461887 -4.097332 -2.066683
C 0.550541 4.911035 -0.035558
C -1.664523 4.701777 2.070311
H 0.273684 -0.766964 4.032374
H 3.177631 0.936610 2.933319
H 2.315723 0.152404 4.299857
H 3.357045 -0.802093 3.204363
H -2.191790 -1.567380 3.966603
H -2.475883 -2.721562 2.633430
H -1.059035 -2.911397 3.712328
H -5.634783 -1.260337 0.026309
H -5.326406 -3.027243 -1.696010
H -3.083661 -4.045475 -2.024530
H 5.297379 -2.698331 0.207884
H 6.650687 -0.757213 -0.585984
H 5.557156 1.464554 -0.860882
H 0.042416 -2.861270 -0.404440
H 0.138552 -5.275832 0.356467
H -0.918769 -4.287727 1.404655
H -1.636404 -5.375747 0.186605
H 0.545854 -4.536671 -2.078652
H -1.172958 -4.881921 -2.373838
H -0.497017 -3.278129 -2.806019
H -2.933770 0.242516 2.097570
H -4.918942 0.021073 3.588996
H -5.736911 -1.020752 2.395857
H -4.304259 -1.623828 3.256387
H -4.728344 1.869478 1.854120
H -4.077943 1.518368 0.233659
H -5.636577 0.805655 0.748085
H 2.004054 2.201305 0.066816
H 3.324028 4.310036 0.160183
H 3.887302 3.189373 1.430127
H 4.840004 3.401195 -0.061277
H 2.454315 3.374534 -2.101833
H 3.935555 2.402013 -2.318175
H 2.331904 1.601040 -2.314292
H 1.648811 -2.498628 1.070314
H 2.609076 -4.511288 2.178820
H 4.261573 -3.926267 1.850453
H 3.197614 -3.016455 2.957535
H 2.022032 -4.566446 -0.276573
H 2.173638 -3.083249 -1.270953
H 3.638145 -3.975250 -0.750389
H -3.501207 4.256100 -2.590346
H -2.553407 4.872445 -1.212170
H -3.920369 3.766807 -0.925758
H 0.130675 3.736671 -2.619269
H -0.866744 3.109095 -3.965043
H 0.175657 1.995952 -3.028253
H -3.654913 0.626484 -1.830897
H -2.106111 0.127933 -2.554875
H -3.219053 1.187065 -3.473877
H -1.274086 5.620951 2.543956
H -2.155609 4.095083 2.849297
H -2.436973 4.998456 1.341125
H 0.467699 2.525271 3.308314
H 1.360237 4.063301 3.124472
H 1.829600 2.629063 2.174424
H -0.224216 5.335962 -0.695730
H 1.290322 4.411314 -0.674994
H 1.049630 5.750439 0.481382
Pd 0.608882 -0.760020 -2.312227
88
119-Pd
C -1.659895 3.431649 -0.701975
C -1.679413 2.216412 0.027727
C -2.253505 2.146955 1.324825
C -2.792556 3.321608 1.879697
C -2.751326 4.537719 1.186944
C -2.188770 4.584952 -0.093061
N -1.067519 1.031861 -0.519075
Ge 0.942973 1.024762 -0.575007
Cl 1.203139 0.814301 -2.869521
C -2.330298 0.842815 2.116336
C -3.783160 0.316110 2.167745
C -1.120776 3.514666 -2.125904
C 0.174855 4.354949 -2.181390
C -1.820774 0.034332 -1.045293
C -3.245563 0.357972 -1.476082
C -1.357655 -1.294316 -1.215479
C -0.127772 -1.793159 -0.686081
C 0.058539 -3.296579 -0.556084
C -2.313034 -2.306649 -1.839723
C -3.351419 -2.924987 -0.895517
C -3.286932 -2.768874 0.501189
C -4.243936 -3.367772 1.337329
C -5.284625 -4.129988 0.787068
C -5.362372 -4.288841 -0.607597
C -4.403767 -3.690923 -1.437568
N 0.853550 -0.980872 -0.286938
C 2.113291 -1.372472 0.276831
C 2.373390 -0.830783 1.606608
C 3.733522 -0.819102 2.045865
C 4.752004 -1.411324 1.263182
C 4.441659 -2.012625 0.047459
C 3.131558 -1.954108 -0.497615
C 1.210961 -0.725814 2.613602
C 1.575646 0.049869 3.891512
C 2.922176 -2.438641 -1.929947
C 3.149006 -3.965726 -2.033082
C 0.703122 -2.141866 2.971816
C 3.856140 -1.696027 -2.914571
C -1.772871 1.012089 3.546274
C -2.180597 4.078562 -3.100552
H -3.297497 0.322295 -2.578251
H -3.959594 -0.382335 -1.088968
H -3.552422 1.357992 -1.151447
H -0.855731 -3.771586 -0.173472
H 0.281268 -3.737440 -1.540856
H 0.902559 -3.528854 0.104288
H 5.231566 -2.478868 -0.543359
H 5.779976 -1.412842 1.632166
H 3.965962 -0.479370 3.054208
H -3.243556 3.279373 2.873012
H -3.162902 5.442038 1.640807
H -2.169640 5.527181 -0.644421
H 0.387754 -0.191466 2.119216
H -0.128321 -2.074262 3.693604
H 0.344197 -2.672377 2.078335
H 1.511363 -2.738059 3.427141
H 0.696077 0.124403 4.546395
H 2.369145 -0.463416 4.458362
H 1.921044 1.068181 3.645812
H 1.892846 -2.210810 -2.235599
H 2.963788 -4.308123 -3.064888
H 4.190768 -4.216830 -1.774509
H 2.487830 -4.524886 -1.353421
H 3.635390 -2.014074 -3.946866
H 3.706925 -0.609757 -2.846637
H 4.913300 -1.926305 -2.703768
H -0.874223 2.501547 -2.464785
H -1.784092 4.065715 -4.128831
H -3.104346 3.477946 -3.073876
H -2.442497 5.119574 -2.849777
H 0.569994 4.373989 -3.209590
H -0.019950 5.391477 -1.857645
H 0.948570 3.927304 -1.523987
H -1.714728 0.089279 1.605244
H -3.829201 -0.627353 2.735683
H -4.437128 1.051802 2.664545
H -4.178308 0.126586 1.159743
H -1.711537 0.031338 4.045626
H -0.769375 1.459576 3.526075
H -2.426748 1.659354 4.152868
H -2.848604 -1.841948 -2.682321
H -1.736285 -3.126000 -2.297772
H -4.469798 -3.814174 -2.522584
H -6.172472 -4.875023 -1.047688
H -6.031420 -4.593126 1.435617
H -4.175806 -3.231652 2.419081
H -2.489383 -2.162275 0.933452
Pd 2.792291 1.243551 0.927202
101
120-Pd
C -5.663313 0.951662 0.932918
C -4.664877 -0.036120 1.130773
C -4.968936 -1.166250 1.933337
C -6.234833 -1.300834 2.515864
C -7.216300 -0.314505 2.315433
C -6.924642 0.809902 1.523875
C -3.377898 0.098333 0.533008
C -2.255180 0.188819 0.031777
Ge -0.563269 0.399482 -0.925111
N 0.204384 -1.370187 -0.398569
C 0.134400 -2.370610 -1.437431
C 1.163896 -2.416713 -2.414297
C 1.080405 -3.402127 -3.413835
C 0.009278 -4.304505 -3.459981
C -1.007467 -4.222207 -2.505573
C -0.971016 -3.256598 -1.481752
C 2.335089 -1.436818 -2.364173
C 3.401109 -1.887251 -1.338386
C -2.132354 -3.190451 -0.492732
C -3.435430 -2.797527 -1.227699
N 0.428720 1.282449 0.553996
C 0.756157 0.685516 1.712435
C 0.704953 -0.722515 1.905895
C 1.031402 -1.252747 3.299256
C 2.519618 -1.478922 3.600718
C 2.891913 -2.109809 4.804904
C 4.241593 -2.324167 5.118880
C 5.247365 -1.909188 4.228515
C 4.888639 -1.282343 3.025915
C 3.535036 -1.071031 2.715835
C 0.772937 2.652703 0.278244
C 2.045200 2.928348 -0.278651
C 2.365699 4.265680 -0.572271
C 1.446475 5.297253 -0.342176
C 0.187830 4.999019 0.192772
C -0.171749 3.677610 0.515618
C 3.064885 1.824390 -0.537862
C 3.563492 1.852257 -1.996380
C -1.553150 3.385889 1.091801
C -1.819332 4.192339 2.382995
C -2.645885 3.662170 0.034295
C 4.246585 1.918708 0.455362
C 1.219948 1.563747 2.868642
C 0.589406 -1.677514 0.851584
C 0.950549 -3.124194 1.165097
C 2.978798 -1.196596 -3.743567
C -2.330044 -4.528584 0.256872
H 0.404467 1.644012 3.608112
H 2.090808 1.128964 3.377244
H 1.469209 2.575591 2.531049
H 1.858959 -3.175336 1.780125
H 0.132562 -3.593490 1.735826
H 1.101902 -3.710416 0.252602
H -1.854536 -4.909640 -2.549366
H -0.034781 -5.060582 -4.247172
H 1.859349 -3.461590 -4.173591
H 3.347328 4.497013 -0.990876
H 1.710291 6.329836 -0.581936
H -0.532688 5.800371 0.368447
H 1.930776 -0.467353 -2.033415
H 4.225097 -1.154862 -1.303235
H 2.978884 -1.974404 -0.327008
H 3.821603 -2.866893 -1.622145
H 3.719995 -0.388483 -3.672085
H 3.499979 -2.095292 -4.113830
H 2.213542 -0.905852 -4.481112
H -1.926360 -2.406907 0.247311
H -3.136156 -4.426113 1.002781
H -2.619205 -5.330628 -0.441738
H -1.411696 -4.847134 0.774382
H -4.260814 -2.690176 -0.505816
H -3.312677 -1.839362 -1.751900
H -3.711058 -3.571274 -1.963604
H -1.609796 2.319809 1.346834
H -2.801289 3.915931 2.801126
H -1.046313 3.993633 3.143082
H -1.828705 5.276253 2.181502
H -3.637914 3.411556 0.444612
H -2.644916 4.726314 -0.255898
H -2.475977 3.054030 -0.867584
H 2.571889 0.855531 -0.382743
H 4.964086 1.100554 0.273739
H 4.779058 2.876547 0.334826
H 3.899104 1.849000 1.497984
H 4.299667 1.049169 -2.157115
H 2.712894 1.697207 -2.683073
H 4.047004 2.811916 -2.240141
H 0.627313 -0.564344 4.058859
H 0.498652 -2.200543 3.475632
H 2.112495 -2.436466 5.499810
H 4.509556 -2.816785 6.056531
H 6.299088 -2.076313 4.471085
H 5.659111 -0.955256 2.323859
H 3.261144 -0.588071 1.776945
H -4.200617 -1.925830 2.088543
H -6.457013 -2.177032 3.129147
H -8.202304 -0.422047 2.772472
H -7.684865 1.577668 1.363722
H -5.433452 1.818060 0.310680
Pd -0.047637 1.250325 -2.957893
94
121-Pd
C -3.266873 0.758570 -1.712428
C -2.251882 1.419130 -0.982338
C -2.544799 2.429269 -0.025054
C -3.892810 2.779415 0.160843
C -4.916246 2.136348 -0.547977
C -4.601991 1.132998 -1.470030
N -0.868368 1.056277 -1.167459
Ge -0.291989 -0.623769 -0.286328
O -0.705680 0.134652 1.516870
S -1.354556 -0.722178 2.677040
C -3.203270 -0.672677 2.225199
F -3.854349 -1.538998 3.021882
C -1.447498 3.147364 0.766910
C -1.774865 3.284206 2.269915
C -2.967344 -0.301098 -2.770705
C -3.404293 0.188508 -4.172365
C -0.067539 1.824765 -1.933675
C -0.701250 2.783313 -2.927338
C 1.330796 1.760810 -1.883200
C 2.136621 0.925717 -1.072560
C 3.602462 1.265097 -1.006310
Si 3.873827 3.014988 -0.187235
C 5.657126 3.076606 0.478081
N 1.632130 -0.099006 -0.358019
C 2.462797 -1.218787 0.033981
C 2.757501 -2.191225 -0.963873
C 3.480803 -3.334072 -0.579349
C 3.881831 -3.528222 0.747475
C 3.571365 -2.565959 1.713052
C 2.854351 -1.400443 1.381378
C 2.391037 -2.008916 -2.438061
C 1.699007 -3.248476 -3.043683
C 2.603696 -0.349882 2.458082
C 3.921971 0.411021 2.738024
C 2.071144 -0.959344 3.775143
C 3.656763 -1.653649 -3.256550
C -1.155231 4.549050 0.176422
C -3.644781 -1.649665 -2.442287
C 3.682273 4.352460 -1.535284
C 2.570712 3.315858 1.160559
O -0.984453 -2.147968 2.611188
O -1.238878 0.024053 3.939909
F -3.706001 0.559741 2.412443
F -3.395386 -1.033199 0.939520
H 1.867397 2.473085 -2.505293
H -1.543365 3.335177 -2.490831
H 0.041152 3.495019 -3.313959
H -1.102986 2.199184 -3.772276
H 4.170503 0.489331 -0.475233
H 4.010395 1.343285 -2.028295
H 3.885312 -2.714353 2.747279
H 4.435450 -4.427338 1.026951
H 3.729351 -4.082359 -1.334265
H -5.399613 0.632013 -2.022194
H -5.958198 2.415270 -0.375888
H -4.143381 3.553806 0.887527
H 1.683548 -1.173845 -2.531132
H 3.391196 -1.464375 -4.310039
H 4.156066 -0.759955 -2.852847
H 4.376942 -2.487922 -3.226457
H 1.448105 -3.055594 -4.099881
H 2.346620 -4.138846 -3.004969
H 0.764262 -3.465825 -2.496332
H 1.856483 0.362620 2.081179
H 3.757114 1.218357 3.470842
H 4.673978 -0.281143 3.151627
H 4.335872 0.850837 1.819999
H 1.713671 -0.157235 4.438233
H 1.240019 -1.651263 3.591083
H 2.869608 -1.508037 4.302182
H -0.530866 2.549336 0.693808
H -0.389023 5.057424 0.785004
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H 3.252220 -1.584423 2.558963
H 2.171167 -1.485951 4.081032
H -2.068617 0.078558 4.430932
H -2.728959 1.259999 3.250224
H -3.192565 -0.440693 3.140201
H -5.392774 1.368346 -0.926247
H -6.213041 -0.985610 -0.872756
H -4.731625 -2.790437 0.003039
H 4.004826 -3.246178 -1.685383
H 5.896635 -1.633013 -1.685904
H 5.693024 0.519689 -0.445802
H -1.217866 -2.208744 1.215984
H -2.078353 -4.166945 2.485671
H -2.835094 -2.654482 3.056167
H -3.749755 -3.765089 1.997562
H -1.278851 -4.398162 0.099460
H -2.934368 -4.094521 -0.502474
H -1.569696 -3.087933 -1.084972
H -2.074501 2.412940 0.505655
H -3.551985 4.401022 0.415821
H -4.924565 3.397816 -0.113372
H -4.242148 3.168489 1.517867
H -2.137288 3.662690 -1.628520
H -1.925545 1.901620 -1.946914
H -3.517672 2.671389 -2.192675
H 2.575698 1.573402 1.371858
H 4.458958 2.362614 2.816903
H 4.235479 0.588295 2.921751
H 5.580776 1.272131 1.953252
H 3.811499 3.607528 0.697892
H 5.013450 2.635385 -0.186328
H 3.331300 2.707853 -0.768674
H 0.666689 -2.555984 -0.121386
H 1.076767 -4.873804 0.672644
H 2.827983 -4.687786 0.362124
H 2.032157 -3.685433 1.616129
H 0.446604 -4.360367 -1.744501
H 1.079413 -2.888467 -2.545194
H 2.170380 -4.267649 -2.185266
H 1.197769 4.941032 -1.988704
H 0.636151 5.325595 0.729850
H -0.948199 2.907469 2.238926
H 0.556502 1.960713 2.371715
H 0.595224 3.734666 2.665655
H 1.033155 3.004487 -3.519625
H 2.202249 1.888430 -2.717279
H 0.486236 1.393565 -2.883354
Pd -0.657775 -0.771303 -2.199936
100
136-Pd
C -2.374821 -2.519851 -0.376847
C -2.453063 -1.261724 0.287891
C -3.643950 -0.487553 0.225570
C -4.737120 -0.974099 -0.515142
C -4.671025 -2.205970 -1.172340
C -3.499930 -2.969952 -1.092420
N -1.300694 -0.746819 0.972219
C -1.098408 -0.968318 2.330562
C -2.267938 -1.532217 3.118712
C -3.790322 0.844816 0.956246
C -3.995370 2.018924 -0.027353
C -1.131933 -3.405981 -0.285648
C -1.266024 -4.420511 0.874206
Ge 0.086283 -0.055077 -0.188762
N 1.465877 0.077901 1.111580
C 1.326058 -0.134667 2.502966
C 2.364494 0.089727 3.368194
C -0.574237 1.960892 -0.266713
N -0.714805 2.659467 -1.435014
C -0.935477 4.002624 -1.175515
C -0.925074 4.149117 0.183606
N -0.712171 2.891926 0.722668
C -0.703828 2.038942 -2.791025
C -0.365403 3.071061 -3.870910
C -0.655316 2.630454 2.186591
C 0.655980 3.164496 2.782045
C 2.770950 -0.105864 0.539583
C 3.335552 -1.412216 0.502787
C 4.617740 -1.577893 -0.045115
C 5.329107 -0.494781 -0.580624
C 4.744911 0.775109 -0.583281
C 3.467044 0.988092 -0.030429
C 2.581137 -2.637801 1.010526
C 2.441365 -3.698273 -0.103363
C 2.859350 2.383980 -0.091923
C 3.700991 3.413101 0.693182
C 3.257029 -3.236745 2.263938
C 2.661036 2.832952 -1.557283
C -1.879015 3.251434 2.883551
C -2.029974 1.313450 -3.050510
C 0.052631 -0.640370 3.010108
C -4.970343 0.819873 1.957700
C -0.815264 -4.133883 -1.608051
H 0.033523 -0.805007 4.088116
H 3.336637 0.435970 3.020392
H 2.243573 -0.128780 4.429728
H -1.940024 -1.837244 4.122642
H -3.066394 -0.781388 3.227353
H -2.717127 -2.400439 2.613086
H -5.650597 -0.377013 -0.567249
H -5.527967 -2.573677 -1.741790
H -3.458625 -3.934606 -1.600187
H 5.057521 -2.577783 -0.067680
H 6.324630 -0.645686 -1.005183
H 5.281225 1.621676 -1.019283
H -0.266482 -2.767608 -0.067481
H -0.376125 -5.070867 0.909840
H -1.351360 -3.905497 1.842137
H -2.156407 -5.056995 0.735019
H 0.155381 -4.643693 -1.521905
H -1.574770 -4.894302 -1.855889
H -0.759984 -3.406035 -2.436430
H -2.861091 1.018732 1.513192
H -4.988363 1.752061 2.547760
H -5.929779 0.742575 1.420524
H -4.907344 -0.032196 2.650606
H -4.110641 2.968028 0.522681
H -3.148027 2.116235 -0.715750
H -4.907739 1.861489 -0.625870
H 1.869694 2.335573 0.373650
H 3.225244 4.408338 0.657049
H 3.803080 3.111623 1.747791
H 4.712465 3.500507 0.263523
H 2.130898 3.800286 -1.593579
H 3.632355 2.950762 -2.065489
H 2.077269 2.079528 -2.108481
H 1.565970 -2.332255 1.295608
H 2.677418 -4.100674 2.631457
H 4.278030 -3.582782 2.028273
H 3.312648 -2.480554 3.061510
H 1.831066 -4.543816 0.255247
H 1.947538 -3.255230 -0.985097
H 3.424385 -4.091172 -0.411398
H -1.078420 4.728765 -1.964871
H -1.059694 5.025497 0.805228
H -0.690903 1.543493 2.294908
H 0.092776 1.273872 -2.752202
H -1.907642 2.887908 3.921521
H -1.805231 4.351055 2.913220
H -2.816639 2.972457 2.385526
H 0.633394 3.019998 3.872296
H 1.517905 2.613748 2.393185
H 0.767127 4.241256 2.570769
H -1.973337 0.813262 -4.029837
H -2.201700 0.541835 -2.286248
H -2.876011 2.020209 -3.057386
H -0.222426 2.535640 -4.820959
H -1.180995 3.799576 -4.016723
H 0.563878 3.609678 -3.631312
Pd 0.713010 -1.053336 -2.140135
92
137-Pd
C 3.036284 -2.225767 0.519909
C 1.623837 -2.354786 0.551986
C 0.992410 -3.533222 0.083579
C 1.794482 -4.589231 -0.386072
C 3.191060 -4.488269 -0.391812
C 3.802007 -3.309526 0.054097
N 0.830322 -1.257068 1.032691
C 0.780759 -1.010146 2.408498
C 0.978748 -2.216151 3.308526
C -0.525632 -3.646775 0.024530
C -0.995431 -3.546642 -1.445369
C 3.736393 -0.928320 0.915841
C 4.751969 -1.143133 2.059866
Ge 0.361522 0.048525 -0.269481
N 0.306289 1.547290 0.883929
C 0.450845 1.524691 2.288580
C 0.511863 2.665984 3.044629
N -1.733245 -0.385985 -0.181619
C -2.418047 -0.508294 -1.338719
C -3.768964 -0.820416 -1.387248
C -4.489001 -1.026462 -0.173296
C -3.740115 -0.904725 1.038033
C -2.392460 -0.587200 0.985481
N -5.825567 -1.322486 -0.166478
C -6.566577 -1.377272 -1.428198
C -6.535309 -1.475992 1.104975
C 0.170581 2.819965 0.233128
C 1.294074 3.411580 -0.403460
C 1.129112 4.656212 -1.040112
C -0.107583 5.310657 -1.051202
C -1.204957 4.721565 -0.412743
C -1.087948 3.479855 0.236757
C 2.680048 2.773669 -0.362972
C 3.333454 2.707969 -1.758442
C -2.311156 2.900174 0.942555
C -2.754022 3.796344 2.121504
C 3.578790 3.521656 0.649562
C -3.482696 2.687831 -0.041982
C 0.547436 0.223321 2.955274
C -1.056978 -4.934730 0.689586
C 4.416780 -0.302213 -0.322381
H 0.498700 0.269234 4.043888
H 0.465447 3.659952 2.605022
H 0.633436 2.585371 4.124960
H 0.824986 -1.942860 4.362641
H 0.278535 -3.025290 3.036941
H 1.994364 -2.629989 3.196068
H 1.315179 -5.499710 -0.752740
H 3.800356 -5.319751 -0.754332
H 4.890173 -3.216696 0.027219
H 1.989619 5.121860 -1.524480
H -0.213785 6.276998 -1.550279
H -2.171565 5.230973 -0.409939
H 2.984610 -0.213801 1.276180
H 5.224341 -0.184229 2.330137
H 4.257102 -1.550623 2.956091
H 5.547742 -1.844032 1.757261
H 4.882669 0.660014 -0.054746
H 5.199002 -0.970894 -0.719144
H 3.671128 -0.123245 -1.116299
H -0.944603 -2.792346 0.570790
H -2.160083 -4.942758 0.668797
H -0.703955 -5.835060 0.160358
H -0.725811 -5.004793 1.738711
H -2.097129 -3.527921 -1.501825
H -0.595941 -2.629588 -1.911568
H -0.627932 -4.411526 -2.023429
H -2.031954 1.925663 1.358595
H -3.630840 3.353856 2.625754
H -1.938031 3.891112 2.853001
H -3.035395 4.802009 1.766244
H -4.333557 2.213325 0.475816
H -3.828419 3.650777 -0.453050
H -3.183591 2.044980 -0.882839
H 2.578884 1.742200 -0.003459
H 4.569099 3.038260 0.711253
H 3.725335 4.570537 0.339994
H 3.116816 3.512497 1.649207
H 4.313526 2.210756 -1.693612
H 2.689737 2.127796 -2.443928
H 3.488491 3.712306 -2.185418
H -1.790455 -0.480539 1.889275
H -4.206188 -1.046704 2.010323
H -4.255559 -0.896360 -2.356878
H -1.815137 -0.345859 -2.238866
H -7.587706 -1.710300 0.904731
H -6.100883 -2.297527 1.700122
H -6.486556 -0.549089 1.703885
H -7.616904 -1.614114 -1.220380
H -6.519382 -0.409948 -1.959181
H -6.155432 -2.157919 -2.091310
Pd 1.065649 -0.101853 -2.412808
65
138-Pd
C -3.499989 2.947362 0.016993
C -3.176166 1.718253 -0.856691
C -3.695411 1.886964 -2.299436
N -1.730577 1.384477 -0.818230
C -0.820695 2.475305 -1.212174
C 0.552604 2.020191 -1.742477
N 1.472306 1.530441 -0.704113
C 2.819853 2.140854 -0.623350
C 2.766316 3.665348 -0.385076
Ge -1.212327 -0.290527 -0.214260
Pd -2.770050 -1.804288 0.374703
Si 1.152725 0.005307 0.071485
N 1.638368 -0.011676 1.764046
C 0.963051 0.701885 2.879020
C 0.351778 2.024027 2.368465
N 2.106704 -1.395750 -0.345284
C 2.130577 -2.186078 -1.590424
C 1.443339 -1.394626 -2.724654
C 2.904026 -1.849721 0.802718
C 2.190824 -1.345924 2.072437
C -0.167867 -0.155600 3.504129
C 2.007610 1.053369 3.967669
C 3.681816 1.803764 -1.858321
C 3.592153 -2.473802 -2.013665
C 1.370028 -3.521213 -1.387243
H 1.010789 2.892196 -2.232044
H 0.383147 1.269309 -2.539119
H -0.656127 3.166799 -0.363840
H -1.301875 3.056124 -2.018215
H -3.690208 0.844599 -0.419866
H -4.589742 3.108143 0.047586
H -3.135506 2.793385 1.045120
H -3.033105 3.860275 -0.387723
H -4.788972 2.025881 -2.286330
H -3.253930 2.765607 -2.798242
H -3.460083 0.988531 -2.890886
H 3.937164 -1.448891 0.759560
H 2.975109 -2.949699 0.831758
H 2.903382 -1.293680 2.912631
H 1.392649 -2.062951 2.347910
H 3.293938 1.689692 0.264196
H 4.689162 2.244814 -1.770445
H 3.778235 0.712634 -1.961210
H 3.215532 2.202094 -2.775407
H 3.781945 4.048413 -0.192972
H 2.372986 4.200884 -1.264916
H 2.128228 3.905051 0.478394
H 3.608766 -3.050839 -2.952210
H 4.138865 -1.529902 -2.169264
H 4.120000 -3.058466 -1.244133
H 1.396878 -4.130009 -2.306680
H 1.823852 -4.112880 -0.576046
H 0.320105 -3.316069 -1.122651
H 1.486052 -1.976484 -3.658467
H 0.379806 -1.212647 -2.494133
H 1.940281 -0.426203 -2.885853
H 1.530152 1.635139 4.772624
H 2.440402 0.148288 4.420936
H 2.821837 1.652261 3.529925
H -0.692810 0.419732 4.284379
H -0.899729 -0.452322 2.732470
H 0.231584 -1.070056 3.969968
H -0.064863 2.579754 3.223053
H 1.117172 2.639725 1.877804
H -0.463139 1.846986 1.649090
79
139-Pd
C -3.834678 1.120058 -1.792125
C -2.968132 1.442905 -0.721585
C -3.420351 2.194926 0.387772
C -4.755263 2.638085 0.399226
C -5.622991 2.337679 -0.660469
C -5.163216 1.577726 -1.745820
N -1.602259 0.998198 -0.773730
Ge -1.159235 -0.544651 0.143200
Pd -2.768306 -1.645574 1.255708
C -2.503864 2.464832 1.562667
C -3.345831 0.250359 -2.931055
C -0.714571 1.968138 -1.439071
C 0.678422 1.458315 -1.864445
N 1.618424 0.945797 -0.828007
Si 1.223125 -0.592869 -0.043936
N 2.016761 -0.845226 1.501537
C 1.772874 -0.116677 2.778137
C 0.658539 -0.790789 3.621762
C 2.874707 1.641506 -0.711529
C 2.903125 2.984700 -0.230307
C 4.139843 3.631777 -0.058951
C 5.346636 2.993780 -0.368958
C 5.311605 1.698854 -0.893851
C 4.094829 1.016760 -1.088416
C 1.642409 3.758222 0.095529
C 4.140915 -0.349000 -1.738904
N 1.696806 -2.150606 -0.696935
C 1.183470 -2.902021 -1.863875
C 2.345145 -3.644203 -2.571467
C 2.547919 -2.877263 0.254364
C 2.288518 -2.290605 1.651249
C 3.088956 -0.063760 3.593286
C 1.347320 1.330016 2.482351
C 0.103496 -3.919082 -1.412956
C 0.550164 -1.938494 -2.886093
H 1.173122 2.304886 -2.364117
H 0.521883 0.691563 -2.641124
H -0.633024 2.867190 -0.808803
H -1.202563 2.290711 -2.378697
H 3.621158 -2.794202 -0.009997
H 2.302298 -3.951175 0.264129
H 3.161888 -2.456999 2.303024
H 1.424957 -2.815758 2.101892
H 1.963007 -4.180746 -3.454534
H 3.113798 -2.925870 -2.895639
H 2.814843 -4.381867 -1.903440
H -0.268954 -4.499464 -2.274043
H 0.511528 -4.630300 -0.677084
H -0.742265 -3.387962 -0.945357
H 0.187106 -2.510268 -3.753986
H -0.312238 -1.402174 -2.457971
H 1.289799 -1.202494 -3.237247
H 2.935709 0.527820 4.510209
H 3.420380 -1.069020 3.896227
H 3.882449 0.406083 2.991915
H 0.442997 -0.175515 4.510411
H -0.267779 -0.894245 3.028655
H 0.959103 -1.790435 3.971729
H 1.202255 1.869514 3.430930
H 2.121400 1.841415 1.898269
H 0.394349 1.363150 1.929640
H 4.145200 4.653664 0.329489
H 6.298899 3.507916 -0.222346
H 6.240811 1.200910 -1.183796
H 1.872365 4.613285 0.749792
H 1.167423 4.158923 -0.816920
H 0.900639 3.122791 0.595289
H 3.230762 -0.549874 -2.317555
H 5.016927 -0.420688 -2.403635
H 4.224136 -1.151271 -0.991287
H -5.839788 1.327371 -2.567163
H -6.656877 2.689291 -0.637573
H -5.112677 3.219633 1.253049
H -1.528918 2.867968 1.244428
H -2.965091 3.178435 2.262959
H -2.302154 1.525247 2.107592
H -4.122587 0.144151 -3.704107
H -2.437673 0.661182 -3.403103
H -3.082846 -0.754941 -2.558804
17
140-Pd
C -2.478050 -1.877438 -2.529156
C -1.760015 -1.539000 -1.244185
O -0.555760 -1.077698 -1.404099
Ge 0.504164 -0.185321 0.000000
O -0.555752 -1.077690 1.404109
C -1.760007 -1.538995 1.244204
C -2.478072 -1.877330 2.529186
C -2.385689 -1.735458 0.000011
I -0.922151 2.059752 -0.000016
H -3.401901 -2.125037 0.000016
H -1.833339 -2.513455 3.156085
H -2.658674 -0.944473 3.089685
H -3.436375 -2.382623 2.345134
H -3.436323 -2.382784 -2.345087
H -2.658707 -0.944613 -3.089687
H -1.833276 -2.513547 -3.156032
Pd 2.740488 -0.451687 0.000006
92
141-Pd
C 3.016704 -1.644525 0.139967
C 2.571959 -0.311762 -0.095000
C 3.450711 0.634067 -0.676851
C 4.765335 0.228421 -0.982967
C 5.218687 -1.078668 -0.768004
C 4.321827 -2.007443 -0.205987
O 1.304889 -0.031374 0.296231
Ge -0.241594 0.804702 -0.203745
O -1.295205 -0.382725 0.787399
C -2.531543 -0.673287 0.289147
C -3.702673 -0.317209 1.000284
C -4.951127 -0.656131 0.457199
C -5.072945 -1.333774 -0.769627
C -3.901830 -1.671160 -1.466656
C -2.636464 -1.348164 -0.953941
C -3.630410 0.478831 2.290421
N -4.273723 1.802917 2.150582
C -3.558580 2.639587 1.182681
C -1.366580 -1.674674 -1.698073
N -0.603746 -0.430308 -2.079701
C -1.384058 0.415631 -3.019003
C -6.444610 -1.668324 -1.329730
N -7.293775 -2.379669 -0.361192
C -6.747074 -3.704009 -0.055800
C 3.047460 2.066105 -0.964315
N 3.374874 3.020435 0.113333
C 2.743804 2.678468 1.390375
C 6.635225 -1.493910 -1.124945
N 7.298826 -2.230927 -0.036394
C 7.503781 -1.371414 1.132712
C 2.079162 -2.620735 0.820886
N 1.981076 -2.347866 2.264825
C 3.176009 -2.810860 2.964697
C 0.695419 -0.798889 -2.698071
C -4.314513 2.468496 3.453381
C -8.656303 -2.503874 -0.879801
C 0.770192 -2.943441 2.827234
C 2.970814 4.356765 -0.292079
C 8.578600 -2.769345 -0.496730
H -3.974496 -2.196050 -2.424722
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